Mrv1652302241718322D          

  5  3  0  0  0  0            999 V2000
   -0.2062    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0348    0.0000    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
  1  4  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002264

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NCCO

> <INCHI_IDENTIFIER>
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H

> <INCHI_KEY>
PMUNIMVZCACZBB-UHFFFAOYSA-N

> <FORMULA>
C2H8ClNO

> <MOLECULAR_WEIGHT>
97.54

> <EXACT_MASS>
97.0294416

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
6.630984074342857

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-aminoethan-1-ol hydrochloride

> <ALOGPS_LOGP>
-1.53

> <JCHEM_LOGP>
-1.3155608773333334

> <ALOGPS_LOGS>
1.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.61009842450122

> <JCHEM_PKA_STRONGEST_BASIC>
9.554610607853252

> <JCHEM_POLAR_SURFACE_AREA>
46.25

> <JCHEM_REFRACTIVITY>
16.211100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.49e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethanolamine hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002264

> <NAME>
Ethanolamine hydrochloride

> <DRUG_DRUGBANK_ID>
DB03994

> <DRUG_NAME>
Ethanolamine

> <CAS_NUMBER>
2002-24-6

> <UNII>
KKP3YYL02F

$$$$