Molecule

ID:107604

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₆
Molecular Mass
262.2149
Exact Mass
262.04773804
Charge
0
InChI
InChI=1S/C13H10O6/c14-7-4-10(17)12(11(18)5-7)13(19)6-1-2-8(15)9(16)3-6/h1-5,14-18H
InChIKey
XNWPXDGRBWJIES-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c(c(c1)O)C(=O)c1ccc(c(c1)O)O
Isomeric Smiles
Oc1cc(O)c(c(O)c1)C(=O)c1ccc(O)c(O)c1
Calculated Properties
JChem
Acid pKa
6.916901
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
3.198501
LogD (pH = 7.4)
2.494107
Log P
3.2147722
Molar Refractivity
66.538
Polarizability
25.08446
Polar Surface Area
118.22
Rotatable Bonds
2
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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