Molecule

ID:111886

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/h4H,5H2,1-3H3
InChIKey
BEQGRRJLJLVQAQ-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)
2.568009
LogD (pH = 7.4)
2.568009
Log P
2.568009
Molar Refractivity
30.2058
Polarizability
11.603333
Polar Surface Area
0.0
Rotatable Bonds
1
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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