Molecule

ID:111834

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀
Molecular Mass
198.388
Exact Mass
198.23475096
Charge
0
InChI
InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3
InChIKey
BPHJCXVZYVVFBT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(CCC)C
Isomeric Smiles
CCCCCCCCCC(C)CCC
Calculated Properties
JChem
LogD (pH = 7.4)
6.53
LogD (pH = 5.5)
6.53
Log P
6.53
Rotatable Bonds
10
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
28.61
Molar Refractivity
66.16
LOG S
-7.16
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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