
 CHEMBL303993

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.0393   -0.3198   -0.0680 C   0  0  0  0  0
    2.4873   -0.1714    0.0032 N   0  0  0  0  0
    3.1400   -1.3971    0.4618 C   0  0  0  0  0
    4.6530   -1.3309    0.2216 C   0  0  0  0  0
    5.2724   -0.0176    0.6291 C   0  0  0  0  0
    6.6689    0.0898    0.7279 C   0  0  0  0  0
    7.2554    1.3123    1.0498 C   0  0  0  0  0
    6.4560    2.4342    1.2658 C   0  0  0  0  0
    5.0722    2.3440    1.1630 C   0  0  0  0  0
    4.4630    1.1176    0.8397 C   0  0  0  0  0
    2.9345    1.0269    0.7574 C   0  0  0  0  0
    2.2661    1.2304    2.1245 C   0  0  0  0  0
    2.7128    0.5778    3.2860 C   0  0  0  0  0
    2.0778    0.7836    4.5132 C   0  0  0  0  0
    0.9868    1.6443    4.6001 C   0  0  0  0  0
    0.5300    2.3031    3.4618 C   0  0  0  0  0
    1.1646    2.0993    2.2345 C   0  0  0  0  0
    6.9863    3.6550    1.5825 O   0  0  0  0  0
    8.9717    1.4254    1.1725 Cl  0  0  0  0  0
    0.7759   -1.1070   -0.7839 H   0  0  0  0  0
    0.5693    0.5983   -0.4373 H   0  0  0  0  0
    0.5905   -0.5850    0.8954 H   0  0  0  0  0
    2.7575   -2.2637   -0.0926 H   0  0  0  0  0
    2.9285   -1.5935    1.5189 H   0  0  0  0  0
    4.8542   -1.4781   -0.8474 H   0  0  0  0  0
    5.1326   -2.1523    0.7672 H   0  0  0  0  0
    7.2948   -0.7804    0.5460 H   0  0  0  0  0
    4.4667    3.2298    1.3418 H   0  0  0  0  0
    2.6470    1.8819    0.1270 H   0  0  0  0  0
    3.5694   -0.0910    3.2492 H   0  0  0  0  0
    2.4399    0.2737    5.4021 H   0  0  0  0  0
    0.4953    1.8046    5.5556 H   0  0  0  0  0
   -0.3194    2.9776    3.5284 H   0  0  0  0  0
    0.7918    2.6243    1.3573 H   0  0  0  0  0
    7.9549    3.5458    1.6123 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL303993

>  <PubChem CID>
10107367

>  <Formula>
C16H16ClNO

>  <Molecular Weight>
273.760000

>  <IUPAC Name>
(1S)-6-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-ol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC2=CC(=C(C=C2C1C3=CC=CC=C3)O)Cl

>  <Isomeric SMILES>
CN1CCC2=CC(=C(C=C2[C@@H]1C3=CC=CC=C3)O)Cl

>  <InChI Std. ID>
InChI=1S/C16H16ClNO/c1-18-8-7-12-9-14(17)15(19)10-13(12)16(18)11-5-3-2-4-6-11/h2-6,9-10,16,19H,7-8H2,1H3/t16-/m0/s1

>  <InChI Key>
AVXGCGYACIYZAR-INIZCTEOSA-N

