Molecule

ID:59586

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₆
Molecular Mass
292.28394
Exact Mass
292.09468823
Charge
0
InChI
InChI=1S/C15H16O6/c1-8-9-4-6-11(19-2)14(20-3)13(9)21-15(18)10(8)5-7-12(16)17/h4,6H,5,7H2,1-3H3,(H,16,17)
InChIKey
NSVIYXGOHRVGIX-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc2c1oc(=O)c(c2C)CCC(=O)O
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2OC)OC)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3983564
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.35728788
LogD (pH = 7.4)
-1.6714728
Log P
1.7318578
Molar Refractivity
73.9815
Polarizability
28.691217
Polar Surface Area
82.06
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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