6817
  -OEChem-04262408372D

 26 28  0     0  0  0  0  0  0999 V2000
    6.4144   -2.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    2.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6817

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
420

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAAAAAACAyBkAQywIMAAACoAaRyRACCAAAhAgAIiAEodNgIYCrAkZGUIAhggADIyYcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-methylphenazin-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-methyl-1-phenazinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-methylphenazin-1-one

> <PUBCHEM_IUPAC_NAME>
5-methylphenazin-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methylphenazin-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-methylphenazin-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YNCMLFHHXWETLD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
210.079312947

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
210.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2N=C3C1=CC=CC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2N=C3C1=CC=CC3=O

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.079312947

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  15  8
14  16  8
2  4  8
2  5  8
3  6  8
3  7  8
4  9  8
5  10  8
5  7  8
6  11  8
7  12  8
9  13  8

$$$$