Molecule

ID:76169

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂Cl₃N
Molecular Mass
288.60008
Exact Mass
287.00353243
Charge
0
InChI
InChI=1S/C13H11Cl2N.ClH/c14-12-6-5-11(7-13(12)15)10-3-1-9(8-16)2-4-10;/h1-7H,8,16H2;1H
InChIKey
JDOPYPNOJWRQJY-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1ccc(c(c1)Cl)Cl.Cl
Isomeric Smiles
Clc1cc(ccc1Cl)c1ccc(cc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.96784884
LogD (pH = 7.4)
1.9182112
Log P
3.954329
Molar Refractivity
69.2772
Polarizability
28.410355
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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