Mrv1718001081811562D          

 14 14  0  0  0  0            999 V2000
    1.6771    0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8530    0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    1.4748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -1.3085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -0.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502    0.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3364   -0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0512    0.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577   -1.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387   -1.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -1.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787    0.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4787   -0.2786    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  4 12  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DBSALT002615

> <DATABASE_NAME>
drugbank

> <SMILES>
Cl.NCCC1=CNC2=C1C=C(O)C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H

> <INCHI_KEY>
MDIGAZPGKJFIAH-UHFFFAOYSA-N

> <FORMULA>
C10H13ClN2O

> <MOLECULAR_WEIGHT>
212.68

> <EXACT_MASS>
212.0716407

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
19.33278926015936

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(2-aminoethyl)-1H-indol-5-ol hydrochloride

> <ALOGPS_LOGP>
0.56

> <JCHEM_LOGP>
0.48154800923293156

> <ALOGPS_LOGS>
-1.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
18.223535339159515

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.314034178077875

> <JCHEM_PKA_STRONGEST_BASIC>
10.004289627293197

> <JCHEM_POLAR_SURFACE_AREA>
62.040000000000006

> <JCHEM_REFRACTIVITY>
52.3538

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.50e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
serotonin hydrochloride

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT002615

> <NAME>
Serotonin hydrochloride

> <DRUG_DRUGBANK_ID>
DB08839

> <DRUG_NAME>
Serotonin

> <CAS_NUMBER>
153-98-0

> <UNII>
GKN429M9VS

$$$$