Molecule

ID:112293

General Information
Structure
Molecular Formula
C₁₉H₂₆O₃
Molecular Mass
302.40794
Exact Mass
302.18819469
Charge
0
InChI
InChI=1S/C19H26O3/c20-17(9-3-1-5-11-18-13-7-15-21-18)10-4-2-6-12-19-14-8-16-22-19/h7-8,13-16H,1-6,9-12H2
InChIKey
FGEBSKUHWKKVHT-UHFFFAOYSA-N
Canonic Smiles
O=C(CCCCCc1ccco1)CCCCCc1ccco1
Isomeric Smiles
O=C(CCCCCc1ccco1)CCCCCc1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1401873
LogD (pH = 7.4)
5.1401873
Log P
5.1401873
Molar Refractivity
87.5364
Polarizability
33.82612
Polar Surface Area
43.35
Rotatable Bonds
12
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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