Molecule

ID:135062

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO₃
Molecular Mass
199.59573484
Exact Mass
199.0117266
Charge
0
InChI
InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3/i9+1
InChIKey
DSGKWFGEUBCEIE-QBZHADDCSA-N
Canonic Smiles
CC(=O)Oc1ccccc1[13C](=O)Cl
Isomeric Smiles
CC(=O)Oc1ccccc1[13C](=O)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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