Molecule

ID:6263

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₆
Molecular Mass
272.20972
Exact Mass
272.03208798
Charge
0
InChI
InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
InChIKey
VBHKTXLEJZIDJF-UHFFFAOYSA-N
Canonic Smiles
Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O
Isomeric Smiles
O=C1c2c(O)ccc(O)c2C(=O)c2c1ccc(O)c2O
Calculated Properties
JChem
LogD (pH = 7.4)
3.34
LogD (pH = 5.5)
3.65
Log P
3.65
Rotatable Bonds
0
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
7.41
Polar Surface Area
115.06
Polarizability
25.07
Molar Refractivity
69.07
LOG S
-2.78
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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