Molecule

ID:80694

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO₂
Molecular Mass
233.65042
Exact Mass
233.02435618
Charge
0
InChI
InChI=1S/C12H8ClNO2/c13-12(15)9-6-7-11(14-8-9)16-10-4-2-1-3-5-10/h1-8H
InChIKey
GPRAVIOXVXPJHC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(nc1)Oc1ccccc1
Isomeric Smiles
n1c(ccc(c1)C(=O)Cl)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0412285
LogD (pH = 7.4)
3.0412307
Log P
3.0412307
Molar Refractivity
61.5701
Polarizability
23.518759
Polar Surface Area
39.19
Rotatable Bonds
3
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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