Molecule

ID:108196

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₇
Molecular Mass
288.20912
Exact Mass
288.0270026
Charge
0
InChI
InChI=1S/C14H8O7/c15-4-1-2-5(16)9-8(4)13(20)10-6(17)3-7(18)12(19)11(10)14(9)21/h1-3,15-19H
InChIKey
LLDSAQJCCUZHBA-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O
Isomeric Smiles
Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
Calculated Properties
JChem
Acid pKa
7.5821476
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
3.997329
LogD (pH = 7.4)
3.7826817
Log P
4.0008793
Molar Refractivity
71.0555
Polarizability
26.476965
Polar Surface Area
135.29
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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