Molecule

ID:9979

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
InChIKey
KVFIJIWMDBAGDP-UHFFFAOYSA-N
Canonic Smiles
CCc1cnccn1
Isomeric Smiles
CCc1cnccn1
Calculated Properties
JChem
LogD (pH = 7.4)
0.37
LogD (pH = 5.5)
0.37
Log P
0.37
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
1.27
Polar Surface Area
25.78
Polarizability
11.66
Molar Refractivity
30.96
LOG S
0.45
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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