Molecule

ID:102354

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₄O
Molecular Mass
242.44056
Exact Mass
242.26096571
Charge
0
InChI
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCO
Isomeric Smiles
CCCCCCCCCCCCCCCCO
Calculated Properties
JChem
LogD (pH = 7.4)
6.14
LogD (pH = 5.5)
6.14
Log P
6.14
Rotatable Bonds
14
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
34.38
Molar Refractivity
77.35
LOG S
-6.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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