Molecule

ID:111447

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆
Molecular Mass
112.21264
Exact Mass
112.12520051
Charge
0
InChI
InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey
IIEWJVIFRVWJOD-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCC1
Isomeric Smiles
CCC1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3989997
LogD (pH = 7.4)
3.3989997
Log P
3.3989997
Molar Refractivity
36.7556
Polarizability
14.776336
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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