Molecule

ID:112693

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₄
Molecular Mass
312.3597
Exact Mass
312.13615912
Charge
0
InChI
InChI=1S/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey
DYJIIMFHSZKBDY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(C)C
Isomeric Smiles
CC(C)(COC(=O)c1ccccc1)COC(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8135557
LogD (pH = 7.4)
4.8135557
Log P
4.8135557
Molar Refractivity
87.8223
Polarizability
34.28469
Polar Surface Area
52.6
Rotatable Bonds
8
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
References
Bioactivity
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