Molecule

ID:45916

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO
Molecular Mass
268.13854
Exact Mass
267.02176934
Charge
0
InChI
InChI=1S/C13H11Cl2NO/c14-11-5-12(15)13(17-8-6-16-7-8)10-4-2-1-3-9(10)11/h1-5,8,16H,6-7H2
InChIKey
XQNRTHFJSDEPHR-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1OC1CNC1)cccc2
Isomeric Smiles
c1(c2c(c(cc1Cl)Cl)cccc2)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7260109
LogD (pH = 7.4)
2.3964207
Log P
3.5369794
Molar Refractivity
69.0066
Polarizability
28.584593
Polar Surface Area
21.26
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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