
 CHEMBL235397

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.3253    0.1394    0.0200 C   0  0  0  0  0
    0.6143    1.2820    0.3743 C   0  0  0  0  0
   -0.7716    1.2151    0.5279 C   0  0  0  0  0
   -1.4437    0.0007    0.3189 C   0  0  0  0  0
   -0.7489   -1.1668   -0.0502 C   0  0  0  0  0
    0.6497   -1.0670   -0.1859 C   0  0  0  0  0
   -1.4357   -2.4583   -0.2770 C   0  0  0  0  0
   -0.6970   -3.5634   -0.0054 N   0  0  0  0  0
   -1.2172   -4.7800   -0.1731 C   0  0  0  0  0
   -2.5344   -4.9466   -0.6372 C   0  0  0  0  0
   -3.0450   -6.2426   -0.8007 C   0  0  0  0  0
   -2.2424   -7.3322   -0.5022 C   0  0  0  0  0
   -0.9626   -7.0774   -0.0539 C   0  0  0  0  0
   -0.4527   -5.8369    0.1092 N   0  0  0  0  0
   -3.2978   -3.8118   -0.9270 C   0  0  0  0  0
   -2.7408   -2.5524   -0.7469 C   0  0  0  0  0
   -1.5099    2.3854    0.9019 C   0  0  0  0  0
   -2.1167    3.3298    1.1992 N   0  0  0  0  0
    2.4062    0.1787   -0.0934 H   0  0  0  0  0
    1.1474    2.2169    0.5355 H   0  0  0  0  0
   -2.5216   -0.0297    0.4692 H   0  0  0  0  0
    1.2296   -1.9505   -0.4567 H   0  0  0  0  0
   -4.0588   -6.4031   -1.1577 H   0  0  0  0  0
   -2.6021   -8.3484   -0.6155 H   0  0  0  0  0
   -0.2841   -7.8884    0.1966 H   0  0  0  0  0
   -4.3163   -3.9016   -1.2953 H   0  0  0  0  0
   -3.3235   -1.6707   -0.9907 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
 17 18  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL235397

>  <PubChem CID>
44434717

>  <Formula>
C15H9N3

>  <Molecular Weight>
231.258000

>  <IUPAC Name>
3-(1,8-naphthyridin-2-yl)benzonitrile

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC(=C1)C2=NC3=C(C=CC=N3)C=C2)C#N

>  <Isomeric SMILES>
C1=CC(=CC(=C1)C2=NC3=C(C=CC=N3)C=C2)C#N

>  <InChI Std. ID>
InChI=1S/C15H9N3/c16-10-11-3-1-4-13(9-11)14-7-6-12-5-2-8-17-15(12)18-14/h1-9H

>  <InChI Key>
ANJYTIPEHJCPPM-UHFFFAOYSA-N

