Molecule

ID:89756

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂
Molecular Mass
184.61956
Exact Mass
184.02910721
Charge
0
InChI
InChI=1S/C9H9ClO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKey
MDKAAWDKKBFSTK-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(=O)Cl
Isomeric Smiles
O=C(c1c(cccc1)OCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.363295
LogD (pH = 7.4)
2.363295
Log P
2.363295
Molar Refractivity
48.3845
Polarizability
18.453323
Polar Surface Area
26.3
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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