Molecule

ID:2178

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈
Molecular Mass
114.22852
Exact Mass
114.14085058
Charge
0
InChI
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey
TVMXDCGIABBOFY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC
Isomeric Smiles
CCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.02
LogD (pH = 5.5)
4.02
Log P
4.02
Rotatable Bonds
5
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
16.42
Molar Refractivity
38.61
LOG S
-4.04
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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