
 CHEMBL371207

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.8614    3.9421    0.0345 C   0  0  0  0  0
    1.9268    3.0364    0.4748 N   0  0  0  0  0
    1.3423    1.7655    0.9085 C   0  0  0  0  0
    2.9071    2.8558   -0.6148 C   0  0  0  0  0
    4.1326    1.9953   -0.2618 C   0  0  0  0  0
    4.9288    2.4716    0.9423 C   0  0  0  0  0
    6.3957    2.4471    0.5013 C   0  0  0  0  0
    6.3597    1.6776   -0.8331 C   0  0  0  0  0
    5.0487    1.9590   -1.3707 O   0  0  0  0  0
    6.6102    0.1858   -0.7770 C   0  0  0  0  0
    7.7999   -0.2811   -0.2106 C   0  0  0  0  0
    8.1148   -1.6424   -0.1825 C   0  0  0  0  0
    7.2217   -2.5691   -0.7157 C   0  0  0  0  0
    6.0391   -2.1229   -1.2994 C   0  0  0  0  0
    5.7393   -0.7592   -1.3451 C   0  0  0  0  0
    4.9438   -3.2598   -1.9847 Cl  0  0  0  0  0
    8.7465    0.6066    0.2373 O   0  0  0  0  0
    8.4398    1.1961    1.4395 C   0  0  0  0  0
    9.3311    0.9291    2.4871 C   0  0  0  0  0
    9.1451    1.5157    3.7350 C   0  0  0  0  0
    8.0836    2.3911    3.9282 C   0  0  0  0  0
    7.2089    2.6728    2.8750 C   0  0  0  0  0
    7.3574    2.0687    1.6091 C   0  0  0  0  0
    1.2747    4.9148   -0.2545 H   0  0  0  0  0
    0.1564    4.1330    0.8517 H   0  0  0  0  0
    0.3008    3.5374   -0.8165 H   0  0  0  0  0
    0.5824    1.9346    1.6805 H   0  0  0  0  0
    2.0970    1.1209    1.3702 H   0  0  0  0  0
    0.8750    1.2202    0.0807 H   0  0  0  0  0
    3.2774    3.8405   -0.9318 H   0  0  0  0  0
    2.4242    2.4269   -1.5039 H   0  0  0  0  0
    3.8038    0.9635   -0.0909 H   0  0  0  0  0
    4.7233    1.8170    1.7974 H   0  0  0  0  0
    4.6458    3.4863    1.2474 H   0  0  0  0  0
    6.6508    3.4850    0.2347 H   0  0  0  0  0
    7.0875    2.1017   -1.5365 H   0  0  0  0  0
    9.0554   -1.9753    0.2472 H   0  0  0  0  0
    7.4601   -3.6283   -0.6905 H   0  0  0  0  0
    4.8256   -0.4359   -1.8388 H   0  0  0  0  0
   10.1711    0.2591    2.3253 H   0  0  0  0  0
    9.8322    1.2996    4.5486 H   0  0  0  0  0
    7.9381    2.8659    4.8956 H   0  0  0  0  0
    6.4036    3.3834    3.0547 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>
CHEMBL371207

>  <PubChem CID>
44402603

>  <Formula>
C19H20ClNO2

>  <Molecular Weight>
329.824000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C19H20ClNO2/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+/m1/s1

>  <InChI Key>
RHPCETHLGGFAQB-WTANOLMUSA-N

