Molecule

ID:59520

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀O₄
Molecular Mass
276.3276
Exact Mass
276.13615912
Charge
0
InChI
InChI=1S/C16H20O4/c1-10(2)20-15-5-4-11(8-16(15)19-3)12-6-13(17)9-14(18)7-12/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKey
ZIEUSLXWERFDGM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC(C)C)C1CC(=O)CC(=O)C1
Isomeric Smiles
c1c(c(cc(c1)C1CC(=O)CC(=O)C1)OC)OC(C)C
Calculated Properties
JChem
Acid pKa
8.760556
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6995363
LogD (pH = 7.4)
2.6812546
Log P
2.6997745
Molar Refractivity
75.678
Polarizability
29.518696
Polar Surface Area
52.6
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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