
 CHEMBL105234

 51 53  0  0  0  0  0  0  0  0999 V2000
    2.9299    3.4609    1.5518 C   0  0  0  0  0
    4.0924    2.7954    0.8299 C   0  0  0  0  0
    4.2898    1.3500    1.2995 C   0  0  0  0  0
    5.4338    0.6522    0.5939 C   0  0  0  0  0
    6.7429    1.1353    0.7691 C   0  0  0  0  0
    7.8255    0.5141    0.1468 C   0  0  0  0  0
    7.6167   -0.5984   -0.6609 C   0  0  0  0  0
    6.3256   -1.0968   -0.8395 C   0  0  0  0  0
    5.2371   -0.4917   -0.1995 C   0  0  0  0  0
    3.9514   -0.9431   -0.3460 O   0  0  0  0  0
    3.8042   -2.3680   -0.4429 C   0  0  0  0  0
    2.4126   -2.7530    0.0925 C   0  0  0  0  0
    2.1024   -4.2530   -0.1035 C   0  0  0  0  0
    2.9245   -5.1272    0.7668 N   0  0  0  0  0
    2.7396   -4.6875    2.1698 C   0  0  0  0  0
    3.0215   -3.1898    2.3578 C   0  0  0  0  0
    2.2280   -2.3885    1.4777 O   0  0  0  0  0
    2.5212   -6.5340    0.5823 C   0  0  0  0  0
    3.3824   -7.5132    1.3536 C   0  0  0  0  0
    2.9404   -8.0363    2.5799 C   0  0  0  0  0
    3.7529   -8.8992    3.3191 C   0  0  0  0  0
    5.0075   -9.2518    2.8300 C   0  0  0  0  0
    5.4570   -8.7517    1.6101 C   0  0  0  0  0
    4.6496   -7.8791    0.8767 C   0  0  0  0  0
    6.0130  -10.3079    3.7457 Cl  0  0  0  0  0
    2.8192    4.4965    1.2168 H   0  0  0  0  0
    3.0947    3.4702    2.6334 H   0  0  0  0  0
    1.9910    2.9363    1.3505 H   0  0  0  0  0
    4.9979    3.3864    1.0085 H   0  0  0  0  0
    3.9077    2.8170   -0.2516 H   0  0  0  0  0
    3.3501    0.8014    1.1624 H   0  0  0  0  0
    4.4908    1.3303    2.3788 H   0  0  0  0  0
    6.9260    2.0027    1.3993 H   0  0  0  0  0
    8.8313    0.9010    0.2904 H   0  0  0  0  0
    8.4573   -1.0777   -1.1546 H   0  0  0  0  0
    6.1877   -1.9536   -1.4910 H   0  0  0  0  0
    4.5898   -2.8849    0.1195 H   0  0  0  0  0
    3.8807   -2.6495   -1.4994 H   0  0  0  0  0
    1.6663   -2.1695   -0.4592 H   0  0  0  0  0
    2.2622   -4.5190   -1.1556 H   0  0  0  0  0
    1.0390   -4.4149    0.1200 H   0  0  0  0  0
    1.7083   -4.8912    2.4885 H   0  0  0  0  0
    3.4149   -5.2338    2.8358 H   0  0  0  0  0
    2.7652   -2.8991    3.3826 H   0  0  0  0  0
    4.0834   -2.9612    2.2221 H   0  0  0  0  0
    2.6014   -6.8003   -0.4812 H   0  0  0  0  0
    1.4648   -6.6829    0.8475 H   0  0  0  0  0
    1.9648   -7.7563    2.9761 H   0  0  0  0  0
    3.4049   -9.2809    4.2736 H   0  0  0  0  0
    6.4370   -9.0274    1.2299 H   0  0  0  0  0
    5.0136   -7.4769   -0.0647 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
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 23 24  2  0  0  0
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 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL105234

>  <PubChem CID>
11360382

>  <Formula>
C21H26ClNO2

>  <Molecular Weight>
359.894000

>  <IUPAC Name>
4-[(4-chlorophenyl)methyl]-2-[(2-propylphenoxy)methyl]morpholine

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=CC=CC=C1OCC2CN(CCO2)CC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CCCC1=CC=CC=C1OCC2CN(CCO2)CC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H26ClNO2/c1-2-5-18-6-3-4-7-21(18)25-16-20-15-23(12-13-24-20)14-17-8-10-19(22)11-9-17/h3-4,6-11,20H,2,5,12-16H2,1H3

>  <InChI Key>
AJIUZQXFIWGVET-UHFFFAOYSA-N

