
 CHEMBL97778

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.0541   -0.3111   -0.1391 C   0  0  0  0  0
    2.5276   -0.0720   -0.0001 C   0  0  0  0  0
    3.3361   -1.1562   -0.0382 N   0  0  0  0  0
    4.6566   -1.0127    0.0855 C   0  0  0  0  0
    5.2398    0.2494    0.2534 C   0  0  0  0  0
    4.3858    1.3743    0.2924 C   0  0  0  0  0
    3.0142    1.2114    0.1655 C   0  0  0  0  0
    6.6419    0.2955    0.3679 C   0  0  0  0  0
    7.4001   -0.8664    0.3200 C   0  0  0  0  0
    6.7410   -2.0713    0.1617 C   0  0  0  0  0
    5.3930   -2.1220    0.0407 N   0  0  0  0  0
    7.4393   -3.3745    0.0977 C   0  0  0  0  0
    6.8861   -4.4488   -0.6256 C   0  0  0  0  0
    7.5295   -5.6877   -0.7061 C   0  0  0  0  0
    8.7441   -5.8840   -0.0577 C   0  0  0  0  0
    9.3106   -4.8450    0.6740 C   0  0  0  0  0
    8.6643   -3.6060    0.7522 C   0  0  0  0  0
    7.4970    1.7889    0.5685 Cl  0  0  0  0  0
    0.6589    0.2456   -0.9945 H   0  0  0  0  0
    0.5331    0.0068    0.7692 H   0  0  0  0  0
    0.8448   -1.3736   -0.2990 H   0  0  0  0  0
    4.7831    2.3778    0.4213 H   0  0  0  0  0
    2.3481    2.0673    0.1952 H   0  0  0  0  0
    8.4809   -0.8183    0.3883 H   0  0  0  0  0
    5.9326   -4.3222   -1.1381 H   0  0  0  0  0
    7.0749   -6.4962   -1.2726 H   0  0  0  0  0
    9.2434   -6.8473   -0.1161 H   0  0  0  0  0
   10.2537   -4.9985    1.1925 H   0  0  0  0  0
    9.1294   -2.8294    1.3546 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 26  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  2  0  0  0
 16 28  1  0  0  0
 17 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL97778

>  <PubChem CID>
12431921

>  <Formula>
C15H11ClN2

>  <Molecular Weight>
254.717000

>  <IUPAC Name>
4-chloro-7-methyl-2-phenyl-1,8-naphthyridine

>  <XlogP>
4.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3

>  <InChI Key>
CMSOCFLZPHQUAD-UHFFFAOYSA-N

