Molecule

ID:112776

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂
Molecular Mass
84.15948
Exact Mass
84.09390038
Charge
0
InChI
InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3
InChIKey
BXIIJPAVISPOGI-UHFFFAOYSA-N
Canonic Smiles
CC1CC1(C)C
Isomeric Smiles
CC1CC1(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2077913
LogD (pH = 7.4)
2.2077913
Log P
2.2077913
Molar Refractivity
27.3753
Polarizability
11.082252
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation