Molecule

ID:110609

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₅
Molecular Mass
256.21032
Exact Mass
256.03717336
Charge
0
InChI
InChI=1S/C14H8O5/c15-6-1-2-7-9(5-6)13(18)11-8(12(7)17)3-4-10(16)14(11)19/h1-5,15-16,19H
InChIKey
WNHUAWNEKMITEW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)C(=O)c1c(C2=O)ccc(c1O)O
Isomeric Smiles
Oc1cc2c(cc1)C(=O)c1ccc(O)c(O)c1C2=O
Calculated Properties
JChem
LogD (pH = 7.4)
2.05
LogD (pH = 5.5)
2.65
Log P
2.66
Rotatable Bonds
0
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
7.08
Polar Surface Area
94.83
Polarizability
24.37
Molar Refractivity
67.09
LOG S
-3.19
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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