Molecule

ID:89892

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀
Molecular Mass
82.1436
Exact Mass
82.07825032
Charge
0
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
InChIKey
MELUCTCJOARQQG-UHFFFAOYSA-N
Canonic Smiles
CCCC#CC
Isomeric Smiles
CCCC#CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7158446
LogD (pH = 7.4)
2.7158446
Log P
2.7158446
Molar Refractivity
28.7696
Polarizability
10.717774
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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