Molecule

ID:76168

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₃N
Molecular Mass
288.60008
Exact Mass
287.00353243
Charge
0
InChI
InChI=1S/C13H11Cl2N.ClH/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10;/h1-7H,8,16H2;1H
InChIKey
DXTVPISDIGCIAG-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1cc(Cl)cc(c1)Cl.Cl
Isomeric Smiles
Clc1cc(cc(c1)c1ccc(cc1)CN)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.96813786
LogD (pH = 7.4)
1.9207362
Log P
3.954329
Molar Refractivity
69.2772
Polarizability
28.383146
Polar Surface Area
26.02
Rotatable Bonds
2
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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