Molecule

ID:59575

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₆
Molecular Mass
250.2042
Exact Mass
250.04773804
Charge
0
InChI
InChI=1S/C12H10O6/c1-5-6-2-3-8(13)10(16)11(6)18-12(17)7(5)4-9(14)15/h2-3,13,16H,4H2,1H3,(H,14,15)
InChIKey
QCYGFCYJOHAJMS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(=O)oc2c(c1C)ccc(c2O)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2O)O)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.3582525
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.48332712
LogD (pH = 7.4)
-1.8665254
Log P
1.645501
Molar Refractivity
60.4159
Polarizability
23.084318
Polar Surface Area
104.06
Rotatable Bonds
2
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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