Molecule

ID:126724

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈O₅
Molecular Mass
268.22102
Exact Mass
268.03717336
Charge
0
InChI
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey
ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O
Isomeric Smiles
O=c1oc2cc(O)ccc2c2oc3c(ccc(O)c3)c12
Calculated Properties
JChem
Acid pKa
7.1109495
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3868842
LogD (pH = 7.4)
1.9285021
Log P
2.3973212
Molar Refractivity
69.6195
Polarizability
28.706497
Polar Surface Area
79.9
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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