1438
  Mrv0541 02231215292D          

 16 17  0  0  0  0            999 V2000
    5.2223   -1.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.1568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -1.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB01438

> <DATABASE_NAME>
drugbank

> <SMILES>
NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+

> <INCHI_KEY>
InChIKey=QPFYXYFORQJZEC-FOCLMDBBSA-N

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
22.659586486963597

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_EXACT_MASS>
213.101445377

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C11H11N5

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine

> <ALOGPS_LOGP>
2.31

> <JCHEM_LOGP>
2.692530214333334

> <ALOGPS_LOGS>
-3.02

> <JCHEM_MASS>
213.2385

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.84872402921682

> <JCHEM_PKA_STRONGEST_BASIC>
6.85724399897472

> <JCHEM_POLAR_SURFACE_AREA>
89.64999999999999

> <JCHEM_REFRACTIVITY>
68.24790000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.02e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenazopyridine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01438

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Phenazopyridine

> <BRANDS>
AZO-Standard; Baridium; Prodium; Pyrazodine; Pyridiate; Pyridium; Sedural; Uristat; Urodine; Urogesic; Viridium

> <SALTS>
Phenazopyridine hydrochloride

$$$$