Molecule

ID:51733

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₄
Molecular Mass
226.61318
Exact Mass
226.00328638
Charge
0
InChI
InChI=1S/C10H7ClO4/c1-4-8-6(13)2-5(12)3-7(8)15-10(14)9(4)11/h2-3,12-13H,1H3
InChIKey
AHJNZRDMIZWOFG-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)oc(=O)c(c2C)Cl
Isomeric Smiles
c1(c2c(oc(=O)c1Cl)cc(cc2O)O)C
Calculated Properties
JChem
Acid pKa
7.273079
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1291926
LogD (pH = 7.4)
1.7571493
Log P
2.1364093
Molar Refractivity
54.5837
Polarizability
20.702442
Polar Surface Area
66.76
Rotatable Bonds
0
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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