
 CHEMBL295196

 43 44  0  0  0  0  0  0  0  0999 V2000
    5.6082    0.4210   -2.4267 C   0  0  0  0  0
    4.5883    1.5265   -2.6546 C   0  0  0  0  0
    3.5316    1.6044   -1.5418 C   0  0  0  0  0
    4.0377    1.8953   -0.1824 N   0  0  0  0  0
    2.9604    1.7831    0.8276 C   0  0  0  0  0
    2.3215    0.3900    0.9426 C   0  0  0  0  0
    1.3468    0.3338    2.1128 C   0  0  0  0  0
    4.7730    3.1972   -0.1036 C   0  0  0  0  0
    5.3775    3.4634    1.2912 C   0  0  0  0  0
    6.2934    4.6854    1.2581 C   0  0  0  0  0
    5.5800    5.9031    0.7317 C   0  0  0  0  0
    6.0078    7.1824    1.1241 C   0  0  0  0  0
    5.3615    8.3195    0.6410 C   0  0  0  0  0
    4.2998    8.1900   -0.2521 C   0  0  0  0  0
    3.8787    6.9311   -0.6631 C   0  0  0  0  0
    4.5123    5.7767   -0.1741 C   0  0  0  0  0
    3.9649    4.4292   -0.5862 C   0  0  0  0  0
    3.6269    9.2720   -0.7489 O   0  0  0  0  0
    5.8775    9.8791    1.1635 Cl  0  0  0  0  0
    6.2959    0.3633   -3.2770 H   0  0  0  0  0
    5.1146   -0.5518   -2.3276 H   0  0  0  0  0
    6.2011    0.6005   -1.5246 H   0  0  0  0  0
    4.0705    1.3278   -3.6012 H   0  0  0  0  0
    5.1007    2.4843   -2.7882 H   0  0  0  0  0
    3.0357    0.6283   -1.5475 H   0  0  0  0  0
    2.7647    2.3344   -1.8292 H   0  0  0  0  0
    2.1715    2.5199    0.6399 H   0  0  0  0  0
    3.3693    1.9958    1.8194 H   0  0  0  0  0
    3.0991   -0.3699    1.0843 H   0  0  0  0  0
    1.7660    0.1345    0.0347 H   0  0  0  0  0
    1.8539    0.5456    3.0592 H   0  0  0  0  0
    0.8961   -0.6608    2.1838 H   0  0  0  0  0
    0.5412    1.0638    1.9843 H   0  0  0  0  0
    5.6457    3.1044   -0.7634 H   0  0  0  0  0
    5.9519    2.5929    1.6308 H   0  0  0  0  0
    4.5905    3.6508    2.0320 H   0  0  0  0  0
    7.1666    4.4883    0.6248 H   0  0  0  0  0
    6.6581    4.8752    2.2748 H   0  0  0  0  0
    6.8372    7.2883    1.8197 H   0  0  0  0  0
    3.0427    6.8499   -1.3542 H   0  0  0  0  0
    2.9397    4.3808   -0.2014 H   0  0  0  0  0
    3.9033    4.4070   -1.6821 H   0  0  0  0  0
    4.0293   10.0659   -0.3500 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 17  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 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL295196

>  <PubChem CID>
13662881

>  <Formula>
C16H24ClNO

>  <Molecular Weight>
281.824000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=CC(=C(C=C2C1)O)Cl

>  <Isomeric SMILES>
CCCN(CCC)C1CCC2=CC(=C(C=C2C1)O)Cl

>  <InChI Std. ID>
InChI=1S/C16H24ClNO/c1-3-7-18(8-4-2)14-6-5-12-10-15(17)16(19)11-13(12)9-14/h10-11,14,19H,3-9H2,1-2H3

>  <InChI Key>
FOVPYFQNXKBPHP-UHFFFAOYSA-N

