Molecule

ID:125981

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₆
Molecular Mass
286.2363
Exact Mass
286.04773804
Charge
0
InChI
InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKey
WBEFUVAYFSOUEA-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2O/C(=C/c3ccc(c(c3)O)O)/C(=O)c2c(c1)O
Isomeric Smiles
c1cc(c(cc1/C=C/1\C(=O)c2c(cc(cc2O1)O)O)O)O
Calculated Properties
JChem
Acid pKa
7.669575
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
2.635104
LogD (pH = 7.4)
2.4455278
Log P
2.6380131
Molar Refractivity
74.9699
Polarizability
27.75584
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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