Molecule

ID:69945

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂
Molecular Mass
136.19428
Exact Mass
136.10004839
Charge
0
InChI
InChI=1S/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
InChIKey
FINHMKGKINIASC-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(C)c(nc1C)C
Isomeric Smiles
c1(c(nc(c(n1)C)C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.06
LogD (pH = 5.5)
0.06
Log P
0.06
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.19
Polar Surface Area
25.78
Polarizability
16.03
Molar Refractivity
40.11
LOG S
0.30
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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