Mrv1652309151717342D          

 19 20  0  0  1  0            999 V2000
    1.5326   -5.3934    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8217   -3.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1061   -1.6848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4004   -3.7368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6747   -4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111   -4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -3.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -4.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4004   -2.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111   -4.9830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483   -4.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2483   -4.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590   -5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1061   -2.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8217   -5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5375   -4.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3804   -1.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067   -1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  6  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
  2  6  1  0  0  0  0
  2 15  2  0  0  0  0
  6 10  2  0  0  0  0
 10 16  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13679

> <DATABASE_NAME>
drugbank

> <SMILES>
CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=NC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1

> <INCHI_KEY>
SOYKEARSMXGVTM-HNNXBMFYSA-N

> <FORMULA>
C16H19ClN2

> <MOLECULAR_WEIGHT>
274.79

> <EXACT_MASS>
274.1236763

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
30.8205314118093

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(3S)-3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine

> <ALOGPS_LOGP>
3.74

> <JCHEM_LOGP>
3.5849509150000003

> <ALOGPS_LOGS>
-3.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.474711663883962

> <JCHEM_POLAR_SURFACE_AREA>
16.130000000000003

> <JCHEM_REFRACTIVITY>
80.8503

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.19e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-chlorpheniramine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13679

> <DRUG_GROUPS>
experimental; investigational

> <GENERIC_NAME>
Dexchlorpheniramine

> <SYNONYMS>
Dexchlorpheniramine; dexclorfeniramina

> <PRODUCTS>
Dextromethorphan Tannate, Phenylephrine Tannate, Dexchlorpheniramine Tannate

$$$$