Molecule

ID:110459

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₄O₂
Molecular Mass
270.45066
Exact Mass
270.25588033
Charge
0
InChI
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
InChIKey
FVKRIDSRWFEQME-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OCCC(C)C
Isomeric Smiles
CCCCCCCCCCCC(=O)OCCC(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
6.24
LogD (pH = 5.5)
6.24
Log P
6.24
Rotatable Bonds
14
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
36.03
Molar Refractivity
81.87
LOG S
-6.48
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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