Molecule

ID:91038

General Information
Structure
Molecular Formula
C₂₃H₃₈O₂
Molecular Mass
346.54662
Exact Mass
346.28718046
Charge
0
InChI
InChI=1S/C23H38O2/c1-23(2,20-22(24)25)19-15-10-8-6-4-3-5-7-9-12-16-21-17-13-11-14-18-21/h11,13-14,17-18H,3-10,12,15-16,19-20H2,1-2H3,(H,24,25)
InChIKey
IIXIPDOWHXYAKB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(CCCCCCCCCCCCc1ccccc1)(C)C
Isomeric Smiles
OC(=O)CC(CCCCCCCCCCCCc1ccccc1)(C)C
Calculated Properties
JChem
Acid pKa
5.037107
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.3863926
LogD (pH = 7.4)
5.6413107
Log P
7.9774528
Molar Refractivity
106.2023
Polarizability
42.102898
Polar Surface Area
37.3
Rotatable Bonds
15
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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