Molecule

ID:112681

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀
Molecular Mass
82.1436
Exact Mass
82.07825032
Charge
0
InChI
InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3
InChIKey
SLMFWJQZLPEDDU-UHFFFAOYSA-N
Canonic Smiles
CC#CC(C)C
Isomeric Smiles
CC#CC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.558295
LogD (pH = 7.4)
2.558295
Log P
2.558295
Molar Refractivity
28.7172
Polarizability
10.717774
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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