951
  Mrv0541 02231215072D          

 10 10  0  0  0  0            999 V2000
    1.6500    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.9034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.9841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00951

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Isoniazid

> <SYNONYMS>
HIA; Hydrazid; Hydrazide; INH; Isohydrazide; Isonicotinhydrazid; Isonicotinic acid hydrazide; Isonicotinic hydrazide; Isonicotinohydrazide; Isonicotinoyl hydrazide; Isonicotinyl hydrazide; Isonicotinyl hydrazine; Isonicotinylhydrazine

> <BRANDS>
Andrazide; Antimicina; Antituberkulosum; Armacide; Armazid; Armazide; Atcotibine; Azuren; Bacillin; Cedin; Cemidon; Chemiazid; Chemidon; Cortinazine; Cotinazin; Cotinizin; Defonin; Dibutin; Diforin; Dinacrin; Ditubin; Ebidene; Eralon; Ertuban; Eutizon; Evalon; Fimalene; FSR 3; GINK; Hidranizil; Hidrasonil; Hidrulta; Hidrun; Hycozid; Hyozid; Hyzyd; Ido-tebin; Idrazil; Inah; Inizid; Iscotin; Isidrina; Ismazide; Isobicina; Isocid; Isocidene; Isocotin; Isolyn; Isonerit; Isonex; Isoniacid; Isoniazid SA; Isoniazide; Isonicazide; Isonicid; Isonico; Isonicotan; Isonicotil; Isonide; Isonidrin; Isonikazid; Isonilex; Isonin; Isonindon; Isonirit; Isoniton; Isonizide; Isotamine; Isotebe; Isotebezid; Isotinyl; Isozide; Isozyd; Laniazid; Laniozid; Mybasan; Neo-Tizide; Neoteben; Neoxin; Neumandin; Nevin; Niadrin; Nicazide; Nicetal; Nicizina; Niconyl; Nicotibina; Nicotibine; Nicotisan; Nicozide; Nidaton; Nidrazid; Nikozid; Niplen; Nitadon; Nydrazid; Nyscozid; Pelazid; Percin; Phthisen; Pycazide; Pyreazid; Pyricidin; Pyridicin; Pyrizidin; Raumanon; Razide; Retozide; Rifamate; Rimicid; Rimifon; Rimiphone; Rimitsid; Robiselin; Robisellin; Roxifen; Sanohidrazina; Sauterazid; Sauterzid; Stanozide; TB-Phlogin; TB-Razide; TB-Vis; Tebecid; Tebenic; Tebexin; Tebilon; Tebos; Teebaconin; Tekazin; Tibazide; Tibemid; Tibison; Tibivis; Tibusan; Tubazid; Tubazide; Tubeco; Tubecotubercid; Tuberian; Tubicon; Tubilysin; Tubomel; Tyvid; Unicocyde; Unicozyde; Vazadrine; Vederon; Zidafimia; Zinadon; Zonazide

> <CHEMICAL_FORMULA>
C6H7N3O

> <MOLECULAR_WEIGHT>
137.1393

> <EXACT_MASS>
137.058911861

> <IUPAC_NAME>
pyridine-4-carbohydrazide

> <INCHI_IDENTIFIER>
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)

> <INCHI_KEY>
InChIKey=QRXWMOHMRWLFEY-UHFFFAOYSA-N

> <SMILES>
NNC(=O)C1=CC=NC=C1

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
2

> <ALOGPS_LOGP>
-0.71

> <JCHEM_LOGP>
-0.69

> <ALOGPS_LOGS>
-0.59

> <JCHEM_POLARIZABILITY>
13.21

> <JCHEM_POLAR_SURFACE_AREA>
68.01

> <JCHEM_REFRACTIVITY>
37.46

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <ALOGPS_SOLUBILITY>
3.49e+01 g/l

$$$$