Molecule

ID:86618

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-7(14)11-6-10(13-15-11)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKey
CUPPFKWMKGFBKO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1noc(c1)C(=O)C
Isomeric Smiles
n1c(c2c(cccc2)Cl)cc(o1)C(=O)C
Calculated Properties
JChem
Acid pKa
13.493994
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4525602
LogD (pH = 7.4)
2.45256
Log P
2.4525602
Molar Refractivity
57.3493
Polarizability
22.888748
Polar Surface Area
43.1
Rotatable Bonds
2
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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