Molecule

ID:78739

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(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
RETLCWPMLJPOTP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccccc1Cl
Isomeric Smiles
O=C(c1c(cccc1)Cl)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9375753
LogD (pH = 7.4)
2.9375753
Log P
2.9375753
Molar Refractivity
47.6367
Polarizability
18.493105
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
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Molecule Details
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References
Bioactivity
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