Molecule

ID:118657

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClO₃
Molecular Mass
224.64036
Exact Mass
224.02402183
Charge
0
InChI
InChI=1S/C11H9ClO3/c1-6-2-10-8(4-9(6)13)7(5-12)3-11(14)15-10/h2-4,13H,5H2,1H3
InChIKey
QJKVIXRACLBRAK-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1cc(O)c(c2)C
Isomeric Smiles
c12c(c(cc(=O)o1)CCl)cc(c(c2)C)O
Calculated Properties
JChem
Acid pKa
9.710382
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3664043
LogD (pH = 7.4)
2.364323
Log P
2.366431
Molar Refractivity
57.6784
Polarizability
21.773148
Polar Surface Area
46.53
Rotatable Bonds
1
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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