Molecule

ID:112291

General Information
Structure
Molecular Formula
C₁₁H₆O₁₀
Molecular Mass
298.15934
Exact Mass
297.99609639
Charge
0
InChI
InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey
QNSOHXTZPUMONC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(C(=O)O)c(c(c1C(=O)O)C(=O)O)C(=O)O
Isomeric Smiles
OC(=O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
Calculated Properties
JChem
Acid pKa
1.2547315
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
-8.188163
LogD (pH = 7.4)
-12.094152
Log P
0.26116034
Molar Refractivity
62.339
Polarizability
22.668139
Polar Surface Area
186.5
Rotatable Bonds
5
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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