Molecule

ID:106227

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈
Molecular Mass
114.22852
Exact Mass
114.14085058
Charge
0
InChI
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChIKey
NHTMVDHEPJAVLT-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C)(C)C)C
Isomeric Smiles
CC(C)CC(C)(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.56
LogD (pH = 5.5)
3.56
Log P
3.56
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
15.67
Molar Refractivity
38.38
LOG S
-3.56
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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