Molecule

ID:10198

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃
Molecular Mass
212.62966
Exact Mass
212.02402183
Charge
0
InChI
InChI=1S/C10H9ClO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKey
DMVAIJCMWPNOKV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)c1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)C(=O)CC(=O)OC)Cl
Calculated Properties
JChem
Acid pKa
9.882252
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1730425
LogD (pH = 7.4)
2.1716337
Log P
2.1730604
Molar Refractivity
52.3788
Polarizability
20.4466
Polar Surface Area
43.37
Rotatable Bonds
4
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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