Mrv0541 04191212142D          

 10 10  0  0  0  0            999 V2000
   -0.7500    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.5125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3934   -0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079   -0.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  5  7  2  0  0  0  0
  7  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  1   5   1
M  END
> <DATABASE_ID>
DB00733

> <DATABASE_NAME>
drugbank

> <SMILES>
C[N+]1=C(\C=N\O)C=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1

> <INCHI_KEY>
InChIKey=JBKPUQTUERUYQE-UHFFFAOYSA-O

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
14.440492749796206

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_EXACT_MASS>
137.07148792

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_FORMULA>
C7H9N2O

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium

> <ALOGPS_LOGP>
-3.04

> <JCHEM_LOGP>
-3.257118933138412

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MASS>
137.1592

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.780617630287852

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1289754210509502

> <JCHEM_POLAR_SURFACE_AREA>
36.47

> <JCHEM_REFRACTIVITY>
40.326499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pralidoxime

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00733

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Pralidoxime

> <SYNONYMS>
2-PAM; Pralidoxim; Pralidoxima; Pralidoxime; Pralidoximum

> <BRANDS>
Contrathion; Nispam; Pamcl; Pampara; Pamu; Pralidoxime Chloride; Protopam; Protopam Chloride

> <SALTS>
Pralidoxime Chloride

$$$$