Molecule

ID:60213

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂
Molecular Mass
184.61956
Exact Mass
184.02910721
Charge
0
InChI
InChI=1S/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChIKey
SATDLKYRVXFXRE-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(=O)OC
Isomeric Smiles
C(=O)(c1ccc(cc1)CCl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5639648
LogD (pH = 7.4)
2.5639648
Log P
2.5639648
Molar Refractivity
47.9502
Polarizability
18.423637
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
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Molecule Details
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References
Bioactivity
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