Molecule

ID:29138

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁Cl₂NO
Molecular Mass
256.12784
Exact Mass
255.02176934
Charge
0
InChI
InChI=1S/C12H11Cl2NO/c13-10-4-3-9(12(14)6-10)7-15-8-11-2-1-5-16-11/h1-6,15H,7-8H2
InChIKey
CVFILWUATHTGTH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CNCc1ccco1
Isomeric Smiles
c1(c(ccc(c1)Cl)CNCc1occc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8992075
LogD (pH = 7.4)
3.3394542
Log P
3.5244038
Molar Refractivity
65.9191
Polarizability
25.741873
Polar Surface Area
25.17
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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