
 CHEMBL85362

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.8641    0.4946   -0.2305 C   0  0  0  0  0
    2.3783    0.3209   -0.2338 C   0  0  0  0  0
    3.0894    1.6827   -0.3140 C   0  0  0  0  0
    4.5691    1.5751   -0.2928 N   0  0  0  0  0
    5.0585    1.0745   -1.6033 C   0  0  0  0  0
    6.3332    0.2226   -1.5088 C   0  0  0  0  0
    6.7368   -0.3173   -2.8746 C   0  0  0  0  0
    5.1789    2.8996    0.0439 C   0  0  0  0  0
    6.7260    2.8839    0.1846 C   0  0  0  0  0
    6.9941    4.0708    1.0528 C   0  0  0  0  0
    5.8382    4.4526    1.7339 C   0  0  0  0  0
    4.6943    3.5516    1.3792 C   0  0  0  0  0
    5.8775    5.4943    2.6395 C   0  0  0  0  0
    7.0807    6.1617    2.8599 C   0  0  0  0  0
    8.2431    5.7682    2.1743 C   0  0  0  0  0
    8.2036    4.7095    1.2655 C   0  0  0  0  0
    4.7404    5.8421    3.3011 O   0  0  0  0  0
    0.3695   -0.4797   -0.1650 H   0  0  0  0  0
    0.5252    0.9852   -1.1489 H   0  0  0  0  0
    0.5376    1.0985    0.6220 H   0  0  0  0  0
    2.6429   -0.3264   -1.0750 H   0  0  0  0  0
    2.6805   -0.2012    0.6820 H   0  0  0  0  0
    2.7371    2.2465    0.5559 H   0  0  0  0  0
    2.7583    2.2379   -1.2014 H   0  0  0  0  0
    5.2000    1.9042   -2.3080 H   0  0  0  0  0
    4.3069    0.4306   -2.0718 H   0  0  0  0  0
    6.1770   -0.6149   -0.8192 H   0  0  0  0  0
    7.1804    0.7944   -1.1300 H   0  0  0  0  0
    5.9757   -0.9967   -3.2694 H   0  0  0  0  0
    7.6802   -0.8679   -2.7997 H   0  0  0  0  0
    6.8788    0.4983   -3.5915 H   0  0  0  0  0
    4.9276    3.6102   -0.7605 H   0  0  0  0  0
    7.0772    1.9871    0.7064 H   0  0  0  0  0
    7.2164    2.9879   -0.7877 H   0  0  0  0  0
    4.5559    2.8039    2.1681 H   0  0  0  0  0
    3.7705    4.1200    1.2314 H   0  0  0  0  0
    7.1467    6.9834    3.5668 H   0  0  0  0  0
    9.1810    6.2838    2.3597 H   0  0  0  0  0
    9.1034    4.3910    0.7480 H   0  0  0  0  0
    4.9516    6.5714    3.9062 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  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL85362

>  <PubChem CID>
146855

>  <Formula>
C15H23NO

>  <Molecular Weight>
233.355000

>  <IUPAC Name>
2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CC2=C(C1)C(=CC=C2)O

>  <Isomeric SMILES>
CCCN(CCC)C1CC2=C(C1)C(=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3

>  <InChI Key>
CJKPENGZQFFKLK-UHFFFAOYSA-N

