Molecule

ID:76132

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₂
Molecular Mass
196.63026
Exact Mass
196.02910721
Charge
0
InChI
InChI=1S/C10H9ClO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChIKey
TVWDRSJRFMTIPQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)CC(=O)C
Isomeric Smiles
Clc1ccc(cc1)C(=O)CC(=O)C
Calculated Properties
JChem
Acid pKa
8.891487
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3566158
LogD (pH = 7.4)
2.3430169
Log P
2.356792
Molar Refractivity
51.1608
Polarizability
19.704556
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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