Mrv1652312081619482D          

 16 15  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3402   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6257    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9113   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0547    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7692   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4836    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7692   -1.0313    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT001654

> <DATABASE_NAME>
drugbank

> <SMILES>
C1CNCCN1.OC(=O)CCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2

> <INCHI_KEY>
BVEGEKOBSPXUJS-UHFFFAOYSA-N

> <FORMULA>
C10H20N2O4

> <MOLECULAR_WEIGHT>
232.28

> <EXACT_MASS>
232.142307132

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
14.241468773949041

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexanedioic acid; piperazine

> <ALOGPS_LOGP>
0.13

> <JCHEM_LOGP>
0.4906543626666667

> <ALOGPS_LOGS>
-0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.697830626774094

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9174684741961965

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
32.739000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.22e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adipic acid; piperazine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001654

> <NAME>
Piperazine adipate

> <DRUG_DRUGBANK_ID>
DB00592

> <DRUG_NAME>
Piperazine

> <CAS_NUMBER>
142-88-1

> <UNII>
V7P5P122LB

$$$$