
 CHEMBL163061

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.8209    3.8464   -1.6472 C   0  0  0  0  0
    2.8733    3.3414   -0.6700 C   0  0  0  0  0
    3.4700    2.0060   -1.1345 C   0  0  0  0  0
    4.3756    1.3827   -0.1481 N   0  0  0  0  0
    5.5472    2.2167    0.1762 C   0  0  0  0  0
    6.5254    2.4040   -0.9957 C   0  0  0  0  0
    6.8655    1.0912   -1.6385 C   0  0  0  0  0
    6.0940    0.0075   -1.4360 C   0  0  0  0  0
    4.8079    0.0400   -0.6267 C   0  0  0  0  0
    5.0198   -0.9598    0.5246 C   0  0  0  0  0
    5.1840   -2.3088    0.0447 O   0  0  0  0  0
    6.0049   -2.4404   -1.0519 C   0  0  0  0  0
    6.4832   -1.3623   -1.8222 C   0  0  0  0  0
    7.2907   -1.6357   -2.9341 C   0  0  0  0  0
    7.6179   -2.9510   -3.2553 C   0  0  0  0  0
    7.1495   -4.0147   -2.4920 C   0  0  0  0  0
    6.3350   -3.7558   -1.3900 C   0  0  0  0  0
    8.4090   -3.1578   -4.3473 O   0  0  0  0  0
    1.4142    4.8031   -1.3043 H   0  0  0  0  0
    0.9916    3.1370   -1.7339 H   0  0  0  0  0
    2.2509    3.9973   -2.6428 H   0  0  0  0  0
    2.4161    3.2246    0.3194 H   0  0  0  0  0
    3.6519    4.1067   -0.5867 H   0  0  0  0  0
    3.9637    2.1407   -2.1050 H   0  0  0  0  0
    2.6278    1.3220   -1.3051 H   0  0  0  0  0
    5.2441    3.1936    0.5678 H   0  0  0  0  0
    6.0821    1.7465    1.0131 H   0  0  0  0  0
    7.4447    2.8612   -0.6118 H   0  0  0  0  0
    6.1159    3.0849   -1.7498 H   0  0  0  0  0
    7.8014    1.0402   -2.1855 H   0  0  0  0  0
    4.0100   -0.3799   -1.2578 H   0  0  0  0  0
    4.1383   -0.9696    1.1761 H   0  0  0  0  0
    5.8837   -0.7047    1.1522 H   0  0  0  0  0
    7.6606   -0.8363   -3.5691 H   0  0  0  0  0
    7.4000   -5.0416   -2.7378 H   0  0  0  0  0
    5.9569   -4.5779   -0.7879 H   0  0  0  0  0
    8.5530   -4.1129   -4.4505 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL163061

>  <PubChem CID>
14151702

>  <Formula>
C15H19NO2

>  <Molecular Weight>
245.322000

>  <IUPAC Name>
4-propyl-2,3,4a,5-tetrahydrochromeno[3,4-b]pyridin-9-ol

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN1CCC=C2C1COC3=C2C=C(C=C3)O

>  <Isomeric SMILES>
CCCN1CCC=C2C1COC3=C2C=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C15H19NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h4-6,9,14,17H,2-3,7-8,10H2,1H3

>  <InChI Key>
GOAIESIEBXUUKO-UHFFFAOYSA-N

