Molecule

ID:3443

General Information
Structure
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Molecular Formula
C₁₆H₃₂O₂
Molecular Mass
256.42408
Exact Mass
256.24023026
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)
InChIKey
IPCSVZSSVZVIGE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.84
LogD (pH = 5.5)
5.60
Log P
6.26
Rotatable Bonds
14
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
34.36
Molar Refractivity
77.08
LOG S
-6.66
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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