Molecule

ID:50071

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂
Molecular Mass
184.61956
Exact Mass
184.02910721
Charge
0
InChI
InChI=1S/C9H9ClO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
InChIKey
ZYDPBMFCTQAEMR-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1Cl)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4889295
LogD (pH = 7.4)
2.4889295
Log P
2.4889295
Molar Refractivity
48.6586
Polarizability
18.486502
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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