Molecule

ID:3228

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀
Molecular Mass
198.388
Exact Mass
198.23475096
Charge
0
InChI
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey
BGHCVCJVXZWKCC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
6.69
LogD (pH = 5.5)
6.69
Log P
6.69
Rotatable Bonds
11
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
29.08
Molar Refractivity
66.22
LOG S
-7.23
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation