Molecule

ID:125201

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₇
Molecular Mass
238.15044
Exact Mass
238.01135253
Charge
0
InChI
InChI=1S/C10H6O7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1,11-13,16-17H
InChIKey
HYVDWYISUNRFCU-UHFFFAOYSA-N
Canonic Smiles
OC1=C(O)C(=O)c2c(C1=O)c(O)c(cc2O)O
Isomeric Smiles
Oc1c(O)cc(O)c2C(=O)C(=C(O)C(=O)c12)O
Calculated Properties
JChem
Acid pKa
6.4153666
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
0.7964485
LogD (pH = 7.4)
-0.24591877
Log P
0.8463066
Molar Refractivity
56.0607
Polarizability
20.160322
Polar Surface Area
135.29
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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