Molecule

ID:83907

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂
Molecular Mass
235.6663
Exact Mass
235.04000625
Charge
0
InChI
InChI=1S/C12H10ClNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,7-8H2
InChIKey
VSGHWUAHVBTJIU-UHFFFAOYSA-N
Canonic Smiles
ClC/C=C/CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2ccccc2C1=O)C/C=C/CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1088047
LogD (pH = 7.4)
2.1088047
Log P
2.1088047
Molar Refractivity
63.8734
Polarizability
23.109852
Polar Surface Area
37.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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