Molecule

ID:135692

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₂
Molecular Mass
257.41673484
Exact Mass
257.2435851
Charge
0
InChI
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1+1
InChIKey
IPCSVZSSVZVIGE-OUBTZVSYSA-N
Canonic Smiles
[13CH3]CCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
[13CH3]CCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.600777
LogD (pH = 7.4)
3.8416421
Log P
6.2565827
Molar Refractivity
77.0836
Polarizability
30.713764
Polar Surface Area
37.3
Rotatable Bonds
14
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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