Mrv1652306251723382D          

 10  8  0  0  0  0            999 V2000
   -0.7033    0.8898    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324    1.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205   -1.0228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1443   -0.1822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205   -0.2122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4324    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119   -0.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4238    0.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  6  4  1  1  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002530

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NCCC[C@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1

> <INCHI_KEY>
GGTYBZJRPHEQDG-WCCKRBBISA-N

> <FORMULA>
C5H13ClN2O2

> <MOLECULAR_WEIGHT>
168.62

> <EXACT_MASS>
168.0665554

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
13.769194677461266

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,5-diaminopentanoic acid hydrochloride

> <ALOGPS_LOGP>
-3.64

> <JCHEM_LOGP>
-3.6582876081320586

> <ALOGPS_LOGS>
0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.666422703275891

> <JCHEM_PKA_STRONGEST_BASIC>
10.2868213384358

> <JCHEM_POLAR_SURFACE_AREA>
89.33999999999999

> <JCHEM_REFRACTIVITY>
33.2085

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ornithine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002530

> <NAME>
Ornithine hydrochloride

> <DRUG_DRUGBANK_ID>
DB00129

> <DRUG_NAME>
Ornithine

> <CAS_NUMBER>
3184-13-2

> <UNII>
HBK84K66XH

$$$$