Molecule

ID:7881

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H10ClNO/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3,(H,11,12)
InChIKey
CRHLVANTDHUAOY-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)NC(=O)C
Isomeric Smiles
c1c(ccc(c1)CCl)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.355332
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7981982
LogD (pH = 7.4)
1.7981982
Log P
1.7981982
Molar Refractivity
50.7879
Polarizability
18.87025
Polar Surface Area
29.1
Rotatable Bonds
2
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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