
 CHEMBL538745

 36 36  0  0  0  0  0  0  0  0999 V2000
    1.1206    0.1530    0.5662 C   0  0  0  0  0
    2.4035    0.3932   -0.1304 N   0  0  0  0  0
    2.3366   -0.0017   -1.5582 C   0  0  0  0  0
    2.2706   -1.5219   -1.7348 C   0  0  0  0  0
    2.2888   -1.9357   -3.4679 Cl  0  0  0  0  0
    2.9483    1.7736    0.0359 C   0  0  0  0  0
    3.2700    2.0976    1.4977 C   0  0  0  0  0
    4.0820    3.3974    1.5829 C   0  0  0  0  0
    3.4646    4.5247    0.7901 C   0  0  0  0  0
    2.4803    4.2816   -0.2001 C   0  0  0  0  0
    2.0320    2.8800   -0.5528 C   0  0  0  0  0
    1.8981    5.3679   -0.8723 C   0  0  0  0  0
    2.3018    6.6749   -0.5916 C   0  0  0  0  0
    3.2912    6.9166    0.3645 C   0  0  0  0  0
    3.8735    5.8419    1.0513 C   0  0  0  0  0
    3.6702    8.1845    0.6242 O   0  0  0  0  0
   -0.3343   -1.3913    3.7302 Cl  0  0  0  0  0
    1.1819    0.4264    1.6362 H   0  0  0  0  0
    0.8732   -0.9259    0.5713 H   0  0  0  0  0
    0.2814    0.6993    0.0879 H   0  0  0  0  0
    3.2605    0.3321   -2.0815 H   0  0  0  0  0
    1.4656    0.4749   -2.0602 H   0  0  0  0  0
    1.3424   -1.9463   -1.3041 H   0  0  0  0  0
    3.1482   -1.9972   -1.2468 H   0  0  0  0  0
    3.9308    1.8138   -0.4899 H   0  0  0  0  0
    3.8604    1.2823    1.9694 H   0  0  0  0  0
    2.3264    2.2329    2.0679 H   0  0  0  0  0
    5.1200    3.2505    1.2133 H   0  0  0  0  0
    4.1345    3.6686    2.6601 H   0  0  0  0  0
    0.9877    2.7931   -0.1918 H   0  0  0  0  0
    2.0340    2.7606   -1.6574 H   0  0  0  0  0
    1.1374    5.1976   -1.6243 H   0  0  0  0  0
    1.8474    7.5026   -1.1219 H   0  0  0  0  0
    4.6313    6.0327    1.8021 H   0  0  0  0  0
    4.3447    8.3887    1.2873 H   0  0  0  0  0
    0.8740   -1.9632    3.4057 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538745

>  <PubChem CID>
13897511

>  <Formula>
C13H19Cl2NO

>  <Molecular Weight>
276.201000

>  <IUPAC Name>
6-[2-chloroethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(CCCl)C1CCC2=C(C1)C=CC(=C2)O.Cl

>  <Isomeric SMILES>
CN(CCCl)C1CCC2=C(C1)C=CC(=C2)O.Cl

>  <InChI Std. ID>
InChI=1S/C13H18ClNO.ClH/c1-15(7-6-14)12-4-2-11-9-13(16)5-3-10(11)8-12;/h3,5,9,12,16H,2,4,6-8H2,1H3;1H

>  <InChI Key>
CKWQZPMKKSSTHG-UHFFFAOYSA-N

