1275
  Mrv0541 02231215222D          

 12 13  0  0  0  0            999 V2000
    2.6954   -0.7582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    0.4298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094    1.2219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0094   -1.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3813    0.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3813    1.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0893    1.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
DB01275

> <DATABASE_NAME>
drugbank

> <SMILES>
NNC1=NN=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)

> <INCHI_KEY>
RPTUSVTUFVMDQK-UHFFFAOYSA-N

> <FORMULA>
C8H8N4

> <MOLECULAR_WEIGHT>
160.1759

> <EXACT_MASS>
160.074896276

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9986811047071118

> <JCHEM_AVERAGE_POLARIZABILITY>
16.06197772232708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-hydrazinylphthalazine

> <ALOGPS_LOGP>
0.66

> <JCHEM_LOGP>
0.7513803336666666

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.69145550899456

> <JCHEM_PKA_STRONGEST_BASIC>
8.877566683943828

> <JCHEM_POLAR_SURFACE_AREA>
63.83

> <JCHEM_REFRACTIVITY>
50.23480000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB01275

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Hydralazine

> <SYNONYMS>
(1Z)-1(2H)-Phthalazinone hydrazone; (2H)-Phthalazinone hydrazone; 1-Hydrazinophthalazine; 1-Phthalazinylhydrazine; 6-Hydralazine; Hidralazina; Hydralazin; Hydralazine; Hydralazinum; Hydrallazine; Hydrazinophthalazine; Hydrazone 1(2H)-phthalazinone; Hypophthalin; Idralazina; Phthalazin-1-ylhydrazine

> <PRODUCTS>
Apo-hydralazine; Apresoline; Apresoline Tablets, 10mg; Apresoline Tablets, 25mg; Apresoline Tablets, 50mg; Apresoline hydrochloride; Asn-hydralazine; BiDil; HydrALAZINE Hydrochloride; HydrALAZINE hydrochloride; Hydralazine; Hydralazine HCl; Hydralazine HCl and Hydrochlorothiazide; Hydralazine Hydrochloride; Hydralazine Hydrochloride Injection; Hydralazine Hydrochloride Injection, USP; Hydralazine Hydrocloride; Hydralazine-10 Tab 10mg; Hydralazine-25 Tab; Hydralazine-50 Tab; Isosorbide Dinitrate and Hydralazine Hydrochloride; Isosorbide dinitrate and hydralazine hydrochloride; Jamp-hydralazine; Mint-hydralazine; Novo-hylazin Tab 10mg USP; Novo-hylazin Tab 25mg; Novo-hylazin Tab 50mg; Nu-hydral Tab 10mg; Nu-hydral Tab 25mg; Nu-hydral Tab 50 mg; PMS-hydralazine; Ser-AP-ES Tab; Ser-Ap-Es; hydrALAZINE Hydrochloride

> <INTERNATIONAL_BRANDS>
Alphapress; Aprezin; Cesoline W; Cesoline Y; Diazide; Hidral; Pressfall; Serpathiazide

> <SALTS>
Hydralazine hydrochloride

$$$$