Molecule

ID:78371

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂
Molecular Mass
84.15948
Exact Mass
84.09390038
Charge
0
InChI
InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3
InChIKey
WGLLSSPDPJPLOR-UHFFFAOYSA-N
Canonic Smiles
CC(=C(C)C)C
Isomeric Smiles
CC(=C(C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3668015
LogD (pH = 7.4)
2.3668015
Log P
2.3668015
Molar Refractivity
29.8868
Polarizability
11.603333
Polar Surface Area
0.0
Rotatable Bonds
0
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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