Molecule

ID:91423

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c7-4-5-2-1-3-6(5)8/h1-3,8H2
InChIKey
NSMYBPIHVACKQG-UHFFFAOYSA-N
Canonic Smiles
N#CC1=C(N)CCC1
Isomeric Smiles
NC1=C(CCC1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.0544166
LogD (pH = 7.4)
0.05662754
Log P
0.0566558
Molar Refractivity
32.8039
Polarizability
11.7882395
Polar Surface Area
49.81
Rotatable Bonds
0
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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