Mrv1572004221605012D          

 10  8  0  0  0  0            999 V2000
    0.0794    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6351   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5083    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228   -0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3496    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2264    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT000934

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NCC(=O)CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H

> <INCHI_KEY>
ZLHFONARZHCSET-UHFFFAOYSA-N

> <FORMULA>
C5H10ClNO3

> <MOLECULAR_WEIGHT>
167.59

> <EXACT_MASS>
167.0349209

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
12.556714158027006

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-amino-4-oxopentanoic acid hydrochloride

> <ALOGPS_LOGP>
-2.85

> <JCHEM_LOGP>
-3.2526454527445376

> <ALOGPS_LOGS>
0.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.164001067559852

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.053151638897345

> <JCHEM_PKA_STRONGEST_BASIC>
7.835220055699867

> <JCHEM_POLAR_SURFACE_AREA>
80.39

> <JCHEM_REFRACTIVITY>
30.4478

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.73e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
aminolevulinic acid hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT000934

> <NAME>
Aminolevulinic acid hydrochloride

> <DRUG_DRUGBANK_ID>
DB00855

> <DRUG_NAME>
Aminolevulinic acid

> <CAS_NUMBER>
5451-09-2

> <UNII>
V35KBM8JGR

$$$$