Molecule

ID:15971

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₅
Molecular Mass
276.28454
Exact Mass
276.09977361
Charge
0
InChI
InChI=1S/C15H16O5/c1-17-12-5-9-6-14(19-3)15(20-4)11(8-16)10(9)7-13(12)18-2/h5-8H,1-4H3
InChIKey
XZSIDMHSOZGDNI-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)cc(c(c2C=O)OC)OC
Isomeric Smiles
c1(c(cc2c(c1)c(c(c(c2)OC)OC)C=O)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.04454
LogD (pH = 7.4)
2.04454
Log P
2.04454
Molar Refractivity
74.945
Polarizability
29.797852
Polar Surface Area
53.99
Rotatable Bonds
5
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
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References
Bioactivity
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