Molecule

ID:57165

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₂
Molecular Mass
196.63026
Exact Mass
196.02910721
Charge
0
InChI
InChI=1S/C10H9ClO2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChIKey
FVKDKLWEAIAPHW-VOTSOKGWSA-N
Canonic Smiles
COc1ccccc1/C=C/C(=O)Cl
Isomeric Smiles
COc1c(/C=C/C(=O)Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5117447
LogD (pH = 7.4)
2.5117447
Log P
2.5117447
Molar Refractivity
53.3816
Polarizability
20.135355
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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