Molecule

ID:31391

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃
Molecular Mass
212.62966
Exact Mass
212.02402183
Charge
0
InChI
InChI=1S/C10H9ClO3/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2
InChIKey
UYLGKTHYKDXIHC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Cc1ccc2c(c1)OCCO2
Isomeric Smiles
c12c(OCCO2)ccc(c1)CC(=O)Cl
Calculated Properties
JChem
Acid pKa
14.902565
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6574563
LogD (pH = 7.4)
1.6574563
Log P
1.6574563
Molar Refractivity
52.1815
Polarizability
20.307896
Polar Surface Area
35.53
Rotatable Bonds
2
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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