Molecule

ID:59775

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₅
Molecular Mass
248.23138
Exact Mass
248.06847348
Charge
0
InChI
InChI=1S/C13H12O5/c1-16-9-3-4-10-8(5-12(14)17-2)6-13(15)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3
InChIKey
IEMSTXMWFNGNTK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cc(=O)oc2c1ccc(c2)OC
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2)OC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1953039
LogD (pH = 7.4)
1.1953039
Log P
1.1953039
Molar Refractivity
63.3293
Polarizability
24.553112
Polar Surface Area
61.83
Rotatable Bonds
4
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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