Molecule

ID:128451

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₅
Molecular Mass
270.2369
Exact Mass
270.05282342
Charge
0
InChI
InChI=1S/C15H10O5/c1-6-2-3-7-10(12(6)17)13(18)8-4-5-9(16)15(20)11(8)14(7)19/h2-5,16-17,20H,1H3
InChIKey
BATFHSIVMJJJAF-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1)O
Isomeric Smiles
O=C1c2c(ccc(c2O)C)C(=O)c2c1ccc(O)c2O
Calculated Properties
JChem
Acid pKa
7.50982
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
3.8172395
LogD (pH = 7.4)
3.573776
Log P
3.8214314
Molar Refractivity
72.1349
Polarizability
26.919222
Polar Surface Area
94.83
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
References
Bioactivity
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