Molecule

ID:112803

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO
Molecular Mass
231.6776
Exact Mass
231.04509163
Charge
0
InChI
InChI=1S/C13H10ClNO/c14-11-6-8-12(9-7-11)15-10-16-13-4-2-1-3-5-13/h1-10H
InChIKey
HWYMDSMUBCIHKK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/N=C/Oc1ccccc1
Isomeric Smiles
Clc1ccc(cc1)/N=C/Oc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.297609
LogD (pH = 7.4)
4.297611
Log P
4.297611
Molar Refractivity
66.2503
Polarizability
25.000748
Polar Surface Area
21.59
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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