Molecule

ID:86898

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
InChIKey
SVEUVITYHIHZQE-UHFFFAOYSA-N
Canonic Smiles
CNc1ccccn1
Isomeric Smiles
n1ccccc1NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2097732
LogD (pH = 7.4)
0.7502917
Log P
0.82280904
Molar Refractivity
34.4084
Polarizability
12.411682
Polar Surface Area
24.92
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
References
Bioactivity
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