Molecule

ID:59900

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₃
Molecular Mass
224.64036
Exact Mass
224.02402183
Charge
0
InChI
InChI=1S/C11H9ClO3/c1-5-6(2)11(14)15-10-4-9(13)8(12)3-7(5)10/h3-4,13H,1-2H3
InChIKey
JMNRODDUVWGJDN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2c(cc1O)oc(=O)c(c2C)C
Isomeric Smiles
c1(c2c(oc(=O)c1C)cc(c(c2)Cl)O)C
Calculated Properties
JChem
Acid pKa
6.2263484
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7046568
LogD (pH = 7.4)
1.6228609
Log P
2.778784
Molar Refractivity
56.9734
Polarizability
21.907532
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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