Molecule

ID:35355

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₅
Molecular Mass
278.30042
Exact Mass
278.11542368
Charge
0
InChI
InChI=1S/C15H18O5/c1-18-13-6-10(7-14(19-2)15(13)20-3)9-4-11(16)8-12(17)5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKey
DRSDSCJOFHJYQQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1OC)OC)C1CC(=O)CC(=O)C1
Isomeric Smiles
c1(c(cc(C2CC(=O)CC(=O)C2)cc1OC)OC)OC
Calculated Properties
JChem
Acid pKa
8.738159
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7684695
LogD (pH = 7.4)
1.7492418
Log P
1.7687201
Molar Refractivity
72.9738
Polarizability
28.386654
Polar Surface Area
61.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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