Molecule

ID:90362

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)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKey
KHBWTRFWQROKJZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccccc1Cl
Isomeric Smiles
Clc1ccccc1CC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3609328
LogD (pH = 7.4)
2.3609328
Log P
2.3609328
Molar Refractivity
46.9395
Polarizability
18.50012
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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