Molecule

ID:104871

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₈O₃
Molecular Mass
314.50322
Exact Mass
314.28209508
Charge
0
InChI
InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey
RVWOWEQKPMPWMQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(CCCCCCCCCCC(=O)OC)O
Isomeric Smiles
CCCCCCC(O)CCCCCCCCCCC(=O)OC
Calculated Properties
JChem
Acid pKa
18.484173
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.904896
LogD (pH = 7.4)
5.904896
Log P
5.904896
Molar Refractivity
92.7242
Polarizability
37.109238
Polar Surface Area
46.53
Rotatable Bonds
17
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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