Molecule

ID:109275

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃
Molecular Mass
212.62966
Exact Mass
212.02402183
Charge
0
InChI
InChI=1S/C10H9ClO3/c1-7(12)14-9(10(11)13)8-5-3-2-4-6-8/h2-6,9H,1H3
InChIKey
BERNQQVIUAZUHY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(c1ccccc1)OC(=O)C
Isomeric Smiles
CC(=O)OC(C(=O)Cl)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.332081
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8702906
LogD (pH = 7.4)
1.8702856
Log P
1.8702908
Molar Refractivity
51.7138
Polarizability
20.440735
Polar Surface Area
43.37
Rotatable Bonds
4
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
References
Bioactivity
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