
 CHEMBL289557

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.7470   -0.0599   -2.4025 C   0  0  0  0  0
    2.3386    0.2455   -1.0338 C   0  0  0  0  0
    3.3898    1.3671   -1.1069 C   0  0  0  0  0
    3.9280    1.7802    0.2076 N   0  0  0  0  0
    4.4699    0.6545    0.9891 C   0  0  0  0  0
    5.5347   -0.2614    0.3598 C   0  0  0  0  0
    6.8766    0.3854    0.0672 C   0  0  0  0  0
    4.7688    3.0110    0.1366 C   0  0  0  0  0
    5.4082    3.3996    1.4831 C   0  0  0  0  0
    6.3231    4.6137    1.3378 C   0  0  0  0  0
    5.6287    5.8037    0.7367 C   0  0  0  0  0
    4.5095    5.6060   -0.0938 C   0  0  0  0  0
    3.9347    4.2285   -0.3594 C   0  0  0  0  0
    3.8596    6.7178   -0.6604 C   0  0  0  0  0
    4.3146    8.0130   -0.4212 C   0  0  0  0  0
    5.4305    8.2047    0.3795 C   0  0  0  0  0
    6.0983    7.1139    0.9495 C   0  0  0  0  0
    7.5052    7.4320    1.9116 Cl  0  0  0  0  0
    5.8373    9.4971    0.5865 O   0  0  0  0  0
    1.0165   -0.8704   -2.3248 H   0  0  0  0  0
    2.5272   -0.3733   -3.1049 H   0  0  0  0  0
    1.2399    0.8170   -2.8179 H   0  0  0  0  0
    2.7743   -0.6811   -0.6478 H   0  0  0  0  0
    1.5310    0.5369   -0.3525 H   0  0  0  0  0
    2.8884    2.2165   -1.5823 H   0  0  0  0  0
    4.2064    1.0720   -1.7779 H   0  0  0  0  0
    3.6217    0.0127    1.2613 H   0  0  0  0  0
    4.8155    0.9859    1.9728 H   0  0  0  0  0
    5.1548   -0.7254   -0.5570 H   0  0  0  0  0
    5.7075   -1.0894    1.0597 H   0  0  0  0  0
    6.8118    1.0898   -0.7644 H   0  0  0  0  0
    7.6028   -0.3831   -0.2196 H   0  0  0  0  0
    7.2726    0.9013    0.9457 H   0  0  0  0  0
    5.5783    2.8517   -0.5851 H   0  0  0  0  0
    6.0326    2.5984    1.8862 H   0  0  0  0  0
    4.6248    3.6061    2.2248 H   0  0  0  0  0
    7.1841    4.3562    0.7077 H   0  0  0  0  0
    6.7014    4.8502    2.3391 H   0  0  0  0  0
    2.9414    4.2018    0.1130 H   0  0  0  0  0
    3.7886    4.1412   -1.4441 H   0  0  0  0  0
    2.9813    6.5765   -1.2880 H   0  0  0  0  0
    3.8023    8.8659   -0.8555 H   0  0  0  0  0
    6.6093    9.4578    1.1811 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 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 19 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL289557

>  <PubChem CID>
13177888

>  <Formula>
C16H24ClNO

>  <Molecular Weight>
281.824000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C16H24ClNO/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(19)16(14)17/h5,8,13,19H,3-4,6-7,9-11H2,1-2H3

>  <InChI Key>
AJXGFHBBSOZSFY-UHFFFAOYSA-N

