Mrv1652306031608362D          

 25 28  0  0  0  0            999 V2000
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 10  9  2  0  0  0  0
 14  1  1  0  0  0  0
 14 11  2  0  0  0  0
 15  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 13  2  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23  2  1  0  0  0  0
 23  3  1  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
M  CHG  1  22   1
M  END
> <DATABASE_ID>
CHEM044821

> <DATABASE_NAME>
chemdb

> <SMILES>
CN(C)C1=CC2=C(C=C1)[NH+]=C1C=C(C)C(=O)C=C1N2C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H19N3O/c1-14-11-18-20(13-21(14)25)24(15-7-5-4-6-8-15)19-12-16(23(2)3)9-10-17(19)22-18/h4-13H,1-3H3/p+1

> <INCHI_KEY>
WTNYMGQRSGVOSN-UHFFFAOYSA-O

> <FORMULA>
C21H20N3O

> <MOLECULAR_WEIGHT>
330.41

> <EXACT_MASS>
330.160088696

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
37.44242913028225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
8-(dimethylamino)-3-methyl-2-oxo-10-phenyl-2,10-dihydrophenazin-5-ium

> <ALOGPS_LOGP>
1.93

> <JCHEM_LOGP>
4.402622174666667

> <ALOGPS_LOGS>
-4.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.006595090157526

> <JCHEM_POLAR_SURFACE_AREA>
37.52

> <JCHEM_REFRACTIVITY>
114.84979999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-(dimethylamino)-3-methyl-2-oxo-10-phenylphenazin-5-ium

> <JCHEM_VEBER_RULE>
1

> <NAME>
N-(7-hydroxy-8-methyl-5-phenylphenazin-3-ylidene)dimethylammonium

$$$$