Molecule

ID:70498

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-7-6-3-2-4-8-5-6/h2-5,7H,1H3
InChIKey
DBGFNLVRAFYZBI-UHFFFAOYSA-N
Canonic Smiles
CNc1cccnc1
Isomeric Smiles
c1c(cccn1)NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1249297
LogD (pH = 7.4)
0.22041297
Log P
0.22835152
Molar Refractivity
34.0949
Polarizability
12.411894
Polar Surface Area
24.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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