592
  Mrv0541 02231214482D          

  6  6  0  0  0  0            999 V2000
    2.3645   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00592

> <DATABASE_NAME>
drugbank

> <SMILES>
C1CNCCN1

> <INCHI_IDENTIFIER>
InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2

> <INCHI_KEY>
GLUUGHFHXGJENI-UHFFFAOYSA-N

> <FORMULA>
C4H10N2

> <MOLECULAR_WEIGHT>
86.1356

> <EXACT_MASS>
86.08439833

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0120311935307427

> <JCHEM_AVERAGE_POLARIZABILITY>
9.973271162820316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
piperazine

> <ALOGPS_LOGP>
-1.16

> <JCHEM_LOGP>
-0.72880683

> <ALOGPS_LOGS>
0.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.559244671699773

> <JCHEM_POLAR_SURFACE_AREA>
24.06

> <JCHEM_REFRACTIVITY>
25.4488

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.71e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB00592

> <SECONDARY_ACCESSION_NUMBERS>
APRD00225; DB11514

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Piperazine

> <SYNONYMS>
Diethylenediamine; Piperazidine; Piperazin; Piperazina; Piperazine

> <PRODUCTS>
Entacyl Granules; Entacyl Granules 2.0gm; Entacyl Susp 0.6gm/5ml; Entacyl Suspension-600mg/5ml; Formule C34; Veriga 125; Vermirex Syr; Versol 100mg

> <INTERNATIONAL_BRANDS>
Antepar; Uvilon; Vermidol; Vermizine

> <SALTS>
Piperazine adipate; Piperazine citrate; Piperazine hexahydrate; Piperazine hydrate; Piperazine hydrochloride; Piperazine monohydrochloride; Piperazine phosphate; Piperazine sulfate

$$$$