606970
  -OEChem-05062416052D

 24 26  0     0  0  0  0  0  0999 V2000
    2.9061    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500    1.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4421    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4501    1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480    2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.7842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9754    0.5610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9882    2.2267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5456    3.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  2  0  0  0  0
  2  6  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
606970

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
231

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/gAAHAAQAAAADAjBHgQ8wPJIEACgAzRnRACCgCQxEiAI2CA4dJgIYOLA0dGUJAhgkADIyAcQgMAOQACAQAQCACCAAQCACAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,10-phenanthrolin-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1,10-phenanthrolin-5-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,10-phenanthrolin-5-amine

> <PUBCHEM_IUPAC_NAME>
1,10-phenanthrolin-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,10-phenanthrolin-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,10-phenanthrolin-5-ylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H9N3/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,13H2

> <PUBCHEM_IUPAC_INCHIKEY>
DKPSSMOJHLISJI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
195.079647300

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9N3

> <PUBCHEM_MOLECULAR_WEIGHT>
195.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N

> <PUBCHEM_CACTVS_TPSA>
51.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
195.079647300

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  14  8
1  5  8
10  12  8
11  13  8
12  14  8
13  15  8
2  15  8
2  6  8
4  10  8
4  5  8
4  8  8
5  6  8
6  7  8
7  11  8
7  9  8
8  9  8

$$$$