Molecule

ID:111817

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₄
Molecular Mass
226.44116
Exact Mass
226.26605109
Charge
0
InChI
InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3
InChIKey
BANXPJUEBPWEOT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC(C)C
Isomeric Smiles
CCCCCCCCCCCCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.419275
LogD (pH = 7.4)
7.419275
Log P
7.419275
Molar Refractivity
75.3658
Polarizability
30.298597
Polar Surface Area
0.0
Rotatable Bonds
12
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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