Molecule

ID:112925

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-6(2)9-7(3,4)5-8/h6,9H,1-4H3
InChIKey
DIVFMQDYRZEDFX-UHFFFAOYSA-N
Canonic Smiles
CC(NC(C#N)(C)C)C
Isomeric Smiles
N#CC(NC(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39117548
LogD (pH = 7.4)
1.0948563
Log P
1.1179668
Molar Refractivity
38.1319
Polarizability
14.99472
Polar Surface Area
35.82
Rotatable Bonds
2
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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