Molecule
ID:59157
General Information
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
InChIKey
KOZWYRYCGOBBKD-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(CC(=O)N1)c1ccc(cc1)Cl
Isomeric Smiles
c1(ccc(cc1)C1CC(=O)NC(=O)C1)Cl
Calculated Properties
JChem
Acid pKa
11.543858
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4759644
LogD (pH = 7.4)
1.475934
Log P
1.4759649
Molar Refractivity
56.3308
Polarizability
21.987839
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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