Molecule

ID:59554

General Information
Structure
Molecular Formula
C₁₄H₁₀O₄
Molecular Mass
242.2268
Exact Mass
242.0579088
Charge
0
InChI
InChI=1S/C14H10O4/c1-7-2-3-9-11(4-7)18-12-6-8(15)5-10(16)13(12)14(9)17/h2-6,15-16H,1H3
InChIKey
USPLYEBEGSRMEJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)oc1c(c2=O)c(O)cc(c1)O
Isomeric Smiles
c12c(=O)c3c(oc1cc(cc2O)O)cc(cc3)C
Calculated Properties
JChem
Acid pKa
6.4661283
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.450462
LogD (pH = 7.4)
2.532814
Log P
3.515931
Molar Refractivity
65.8193
Polarizability
24.96466
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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