Molecule

ID:52894

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂
Molecular Mass
184.61956
Exact Mass
184.02910721
Charge
0
InChI
InChI=1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
QISAUDWTBBNJIR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COCc1ccccc1
Isomeric Smiles
c1cccc(c1)COCC(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8603355
LogD (pH = 7.4)
1.8603355
Log P
1.8603355
Molar Refractivity
47.5682
Polarizability
18.490005
Polar Surface Area
26.3
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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