Mrv0541 02241220542D          

  8  6  0  0  0  0            999 V2000
    3.2168    1.6567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024    1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024    0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2168    0.0067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    0.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9313    1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    2.0330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -0.2062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001623

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.Cl.C1CNCCN1

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

> <INCHI_KEY>
CVVIJWRCGSYCMB-UHFFFAOYSA-N

> <FORMULA>
C4H12Cl2N2

> <MOLECULAR_WEIGHT>
159.057

> <EXACT_MASS>
158.037753808

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
1.0120311935307427

> <JCHEM_AVERAGE_POLARIZABILITY>
9.974125139645448

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
piperazine dihydrochloride

> <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>
DBSALT001623

> <NAME>
Piperazine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00592

> <DRUG_NAME>
Piperazine

> <CAS_NUMBER>
142-64-3

> <UNII>
17VU4Z4W88

$$$$