Molecule

ID:59646

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₄
Molecular Mass
232.23198
Exact Mass
232.07355886
Charge
0
InChI
InChI=1S/C13H12O4/c1-8(14)9(2)16-11-5-3-10-4-6-13(15)17-12(10)7-11/h3-7,9H,1-2H3
InChIKey
UHCVPUSBZDLSQF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(Oc1ccc2c(c1)oc(=O)cc2)C
Isomeric Smiles
o1c2cc(OC(C(=O)C)C)ccc2ccc1=O
Calculated Properties
JChem
Acid pKa
18.155685
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0020614
LogD (pH = 7.4)
2.0020614
Log P
2.0020614
Molar Refractivity
62.1414
Polarizability
23.82894
Polar Surface Area
52.6
Rotatable Bonds
3
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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