Molecule

ID:110741

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂
Molecular Mass
84.15948
Exact Mass
84.09390038
Charge
0
InChI
InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3
InChIKey
LDTAOIUHUHHCMU-UHFFFAOYSA-N
Canonic Smiles
CC(C=C)CC
Isomeric Smiles
CCC(C)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6696002
LogD (pH = 7.4)
2.6696002
Log P
2.6696002
Molar Refractivity
29.3999
Polarizability
11.603333
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...