Molecule

ID:31031

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂
Molecular Mass
184.61956
Exact Mass
184.02910721
Charge
0
InChI
InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
InChIKey
MCRINSAETDOKDE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(c1ccc(cc1)OC)CCl
Calculated Properties
JChem
Acid pKa
15.550218
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9105659
LogD (pH = 7.4)
1.9105659
Log P
1.9105659
Molar Refractivity
47.6772
Polarizability
18.41965
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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