Molecule

ID:108855

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClN₂O
Molecular Mass
244.67636
Exact Mass
244.0403406
Charge
0
InChI
InChI=1S/C13H9ClN2O/c14-13(17)10-6-8-12(9-7-10)16-15-11-4-2-1-3-5-11/h1-9H
InChIKey
RYMHZBAYPLCCAC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)/N=N/c1ccccc1
Isomeric Smiles
ClC(=O)c1ccc(cc1)/N=N/c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.5700507
LogD (pH = 7.4)
4.570052
Log P
4.570052
Molar Refractivity
71.4917
Polarizability
25.306
Polar Surface Area
41.79
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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