
 1,10-phenanthroline

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4909   -0.3386    0.0005 C   0  0  0  0  0
    2.7951    0.8614    0.0001 C   0  0  0  0  0
    1.3928    0.8615    0.0002 C   0  0  0  0  0
    0.7036   -0.3761    0.0007 C   0  0  0  0  0
   -0.7049   -0.3757    0.0008 C   0  0  0  0  0
   -1.3927    0.8633    0.0004 C   0  0  0  0  0
   -2.7950    0.8639    0.0004 C   0  0  0  0  0
   -3.4919   -0.3347    0.0010 C   0  0  0  0  0
   -2.7591   -1.5009    0.0014 C   0  0  0  0  0
   -1.4101   -1.5370    0.0013 N   0  0  0  0  0
   -0.6929    2.0731   -0.0002 C   0  0  0  0  0
    0.6943    2.0725   -0.0003 C   0  0  0  0  0
    1.4078   -1.5383    0.0011 N   0  0  0  0  0
    2.7566   -1.5036    0.0010 C   0  0  0  0  0
    4.5741   -0.3630    0.0004 H   0  0  0  0  0
    3.3525    1.7948   -0.0003 H   0  0  0  0  0
   -3.3515    1.7983    0.0001 H   0  0  0  0  0
   -4.5754   -0.3584    0.0011 H   0  0  0  0  0
   -3.2443   -2.4724    0.0018 H   0  0  0  0  0
   -1.2223    3.0235   -0.0005 H   0  0  0  0  0
    1.2245    3.0222   -0.0007 H   0  0  0  0  0
    3.2411   -2.4759    0.0013 H   0  0  0  0  0
  1 14  1  0  0  0
  1  2  2  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  2  0  0  0
  9 19  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
 13 14  2  0  0  0
 14 22  1  0  0  0
M  END

>  <Chemical Name>
1,10-phenanthroline

>  <PubChem CID>
1318

>  <Formula>
C12H8N2

>  <Molecular Weight>
180.210000

>  <IUPAC Name>
1,10-phenanthroline

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1

>  <Isomeric SMILES>
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1

>  <InChI Std. ID>
InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

>  <InChI Key>
DGEZNRSVGBDHLK-UHFFFAOYSA-N

