Molecule

ID:13734

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-5-6(7)3-2-4-8-5/h2-4H,7H2,1H3
InChIKey
ZSFPJJJRNUZCEV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1C
Isomeric Smiles
c1cnc(c(c1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.81145
LogD (pH = 7.4)
0.014665883
Log P
0.058017604
Molar Refractivity
33.193
Polarizability
12.334814
Polar Surface Area
38.91
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
References
Bioactivity
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