Molecule

ID:112661

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄
Molecular Mass
110.19676
Exact Mass
110.10955045
Charge
0
InChI
InChI=1S/C8H14/c1-4-5-6-7-8(2)3/h8H,6-7H2,1-3H3
InChIKey
HIEALULIKYDRQN-UHFFFAOYSA-N
Canonic Smiles
CC#CCCC(C)C
Isomeric Smiles
CC#CCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4474323
LogD (pH = 7.4)
3.4474323
Log P
3.4474323
Molar Refractivity
37.9192
Polarizability
14.411801
Polar Surface Area
0.0
Rotatable Bonds
3
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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