Molecule

ID:136821

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
InChIKey
BTGRAWJCKBQKAO-UHFFFAOYSA-N
Canonic Smiles
N#CCCCCC#N
Isomeric Smiles
C(C#N)CCCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6065521
LogD (pH = 7.4)
0.6065521
Log P
0.6065521
Molar Refractivity
30.6976
Polarizability
11.469436
Polar Surface Area
47.58
Rotatable Bonds
3
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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