Molecule

ID:14652

General Information
Structure
Molecular Formula
C₁₂H₁₇Cl₂N
Molecular Mass
246.17608
Exact Mass
245.07380491
Charge
0
InChI
InChI=1S/C12H16ClN.ClH/c1-10(13)8-9-14-11(2)12-6-4-3-5-7-12;/h3-8,11,14H,9H2,1-2H3;1H/b10-8+;
InChIKey
GCHHISACAREYQA-VRTOBVRTSA-N
Canonic Smiles
CC(c1ccccc1)NC/C=C(/Cl)\C.Cl
Isomeric Smiles
c1(C(NC/C=C(\C)/Cl)C)ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.21131693
LogD (pH = 7.4)
1.8573275
Log P
3.0689564
Molar Refractivity
63.5082
Polarizability
24.500648
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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