Molecule

ID:89737

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO₃
Molecular Mass
198.60308
Exact Mass
198.00837176
Charge
0
InChI
InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
InChIKey
DSGKWFGEUBCEIE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccccc1C(=O)Cl
Isomeric Smiles
O=C(c1c(cccc1)OC(=O)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7714193
LogD (pH = 7.4)
1.7714193
Log P
1.7714193
Molar Refractivity
48.3051
Polarizability
18.57474
Polar Surface Area
43.37
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
References
Bioactivity
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