
 CHEMBL197135

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.7709    3.6684    0.1437 C   0  0  0  0  0
    1.9217    2.8665    0.5701 N   0  0  0  0  0
    1.4556    1.5782    1.0892 C   0  0  0  0  0
    2.8596    2.7041   -0.5587 C   0  0  0  0  0
    4.1669    1.9696   -0.2199 C   0  0  0  0  0
    4.9810    2.5889    0.9011 C   0  0  0  0  0
    6.4458    2.4572    0.4616 C   0  0  0  0  0
    6.3668    1.6613   -0.8604 C   0  0  0  0  0
    5.0387    1.9386   -1.3630 O   0  0  0  0  0
    6.6038    0.1675   -0.7970 C   0  0  0  0  0
    7.7836   -0.3174   -0.2236 C   0  0  0  0  0
    8.0761   -1.6848   -0.1864 C   0  0  0  0  0
    7.1722   -2.5981   -0.7217 C   0  0  0  0  0
    6.0071   -2.1301   -1.3149 C   0  0  0  0  0
    5.7257   -0.7674   -1.3698 C   0  0  0  0  0
    5.1459   -3.0023   -1.8545 F   0  0  0  0  0
    8.7449    0.5558    0.2203 O   0  0  0  0  0
    8.4482    1.1560    1.4195 C   0  0  0  0  0
    9.3303    0.8741    2.4709 C   0  0  0  0  0
    9.1608    1.4786    3.7124 C   0  0  0  0  0
    8.1259    2.3875    3.8944 C   0  0  0  0  0
    7.2603    2.6823    2.8371 C   0  0  0  0  0
    7.3891    2.0582    1.5786 C   0  0  0  0  0
    1.0952    4.6538   -0.2090 H   0  0  0  0  0
    0.0926    3.8463    0.9860 H   0  0  0  0  0
    0.2036    3.1825   -0.6591 H   0  0  0  0  0
    0.7215    1.7279    1.8896 H   0  0  0  0  0
    2.2770    1.0131    1.5411 H   0  0  0  0  0
    0.9931    0.9608    0.3109 H   0  0  0  0  0
    3.1301    3.6949   -0.9486 H   0  0  0  0  0
    2.3736    2.1852   -1.3965 H   0  0  0  0  0
    3.9344    0.9284    0.0334 H   0  0  0  0  0
    4.7499    2.0853    1.8461 H   0  0  0  0  0
    4.7358    3.6497    1.0365 H   0  0  0  0  0
    6.7650    3.4709    0.1715 H   0  0  0  0  0
    7.0747    2.0706   -1.5922 H   0  0  0  0  0
    9.0082   -2.0310    0.2511 H   0  0  0  0  0
    7.3758   -3.6634   -0.6997 H   0  0  0  0  0
    4.8168   -0.4506   -1.8738 H   0  0  0  0  0
   10.1524    0.1806    2.3160 H   0  0  0  0  0
    9.8415    1.2526    4.5284 H   0  0  0  0  0
    7.9953    2.8792    4.8553 H   0  0  0  0  0
    6.4796    3.4222    3.0078 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 17  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 39  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL197135

>  <PubChem CID>
44402586

>  <Formula>
C19H20FNO2

>  <Molecular Weight>
313.372000

>  <IUPAC Name>


>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CC1CC2C(O1)C3=C(C=CC(=C3)F)OC4=CC=CC=C24

>  <Isomeric SMILES>
CN(C)C[C@@H]1C[C@@H]2[C@H](O1)C3=C(C=CC(=C3)F)OC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C19H20FNO2/c1-21(2)11-13-10-15-14-5-3-4-6-17(14)23-18-8-7-12(20)9-16(18)19(15)22-13/h3-9,13,15,19H,10-11H2,1-2H3/t13-,15-,19-/m0/s1

>  <InChI Key>
LGHLMADLDHUIJY-RFUYNDQBSA-N

