
 CHEMBL44419

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.4427   -0.2063   -1.1541 C   0  0  0  0  0
    2.3455    0.0081   -0.0157 N   0  0  0  0  0
    3.3578   -1.0554   -0.0218 C   0  0  0  0  0
    2.9550    1.3691   -0.0312 C   0  0  0  0  0
    3.8457    1.6213    1.2003 C   0  0  0  0  0
    4.5654    2.9673    1.0997 C   0  0  0  0  0
    3.6727    4.1246    0.7327 C   0  0  0  0  0
    2.4073    3.8870    0.1611 C   0  0  0  0  0
    1.8788    2.4857   -0.0547 C   0  0  0  0  0
    1.5785    4.9707   -0.1823 C   0  0  0  0  0
    2.0060    6.2833    0.0031 C   0  0  0  0  0
    3.2646    6.5202    0.5343 C   0  0  0  0  0
    4.1006    5.4570    0.8958 C   0  0  0  0  0
    5.6704    5.8309    1.5315 Cl  0  0  0  0  0
    3.6420    7.8276    0.6836 O   0  0  0  0  0
    0.5596    0.4372   -1.0908 H   0  0  0  0  0
    1.0519   -1.2312   -1.1545 H   0  0  0  0  0
    1.9426   -0.0314   -2.1138 H   0  0  0  0  0
    2.8854   -2.0430   -0.0925 H   0  0  0  0  0
    3.9232   -1.0779    0.9142 H   0  0  0  0  0
    4.0575   -0.9530   -0.8591 H   0  0  0  0  0
    3.5769    1.4702   -0.9325 H   0  0  0  0  0
    4.6194    0.8551    1.3118 H   0  0  0  0  0
    3.2346    1.5930    2.1129 H   0  0  0  0  0
    5.3558    2.8933    0.3424 H   0  0  0  0  0
    5.0451    3.1521    2.0677 H   0  0  0  0  0
    1.1275    2.2923    0.7228 H   0  0  0  0  0
    1.3681    2.4716   -1.0253 H   0  0  0  0  0
    0.5897    4.7925   -0.6008 H   0  0  0  0  0
    1.3621    7.1149   -0.2694 H   0  0  0  0  0
    4.5391    7.8213    1.0672 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 27  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL44419

>  <PubChem CID>
13662906

>  <Formula>
C12H16ClNO

>  <Molecular Weight>
225.716000

>  <IUPAC Name>
1-chloro-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)C1CCC2=C(C1)C=CC(=C2Cl)O

>  <Isomeric SMILES>
CN(C)C1CCC2=C(C1)C=CC(=C2Cl)O

>  <InChI Std. ID>
InChI=1S/C12H16ClNO/c1-14(2)9-4-5-10-8(7-9)3-6-11(15)12(10)13/h3,6,9,15H,4-5,7H2,1-2H3

>  <InChI Key>
DDRHTXMOEMBUSJ-UHFFFAOYSA-N

