Molecule

ID:105177

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆O₃
Molecular Mass
338.44004
Exact Mass
338.18819469
Charge
0
InChI
InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
InChIKey
VEMKTZHHVJILDY-UHFFFAOYSA-N
Canonic Smiles
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C
Isomeric Smiles
CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.067613
LogD (pH = 7.4)
5.067613
Log P
5.067613
Molar Refractivity
99.8796
Polarizability
38.600327
Polar Surface Area
39.44
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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