Molecule

ID:86850

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO₂
Molecular Mass
233.65042
Exact Mass
233.02435618
Charge
0
InChI
InChI=1S/C12H8ClNO2/c13-11-8-9(6-7-14-11)12(15)16-10-4-2-1-3-5-10/h1-8H
InChIKey
VPERXSXVMCFDAU-UHFFFAOYSA-N
Canonic Smiles
Clc1nccc(c1)C(=O)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2412302
LogD (pH = 7.4)
3.2412307
Log P
3.2412307
Molar Refractivity
61.5701
Polarizability
23.527304
Polar Surface Area
39.19
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
No Data Available
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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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