Molecule

ID:72263

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂
Molecular Mass
112.17288
Exact Mass
112.10004839
Charge
0
InChI
InChI=1S/C6H12N2/c1-6(2,5-7)8(3)4/h1-4H3
InChIKey
RIDGSEGTBIWFTK-UHFFFAOYSA-N
Canonic Smiles
CN(C(C#N)(C)C)C
Isomeric Smiles
N#CC(N(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.12638406
LogD (pH = 7.4)
0.71155626
Log P
0.72763175
Molar Refractivity
34.2592
Polarizability
13.150498
Polar Surface Area
27.03
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
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References
Bioactivity
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