Molecule

ID:3066

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂
Molecular Mass
82.10384
Exact Mass
82.0530982
Charge
0
InChI
InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKey
XLSZMDLNRCVEIJ-UHFFFAOYSA-N
Canonic Smiles
Cc1c[nH]cn1
Isomeric Smiles
Cc1c[nH]cn1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.11
LogD (pH = 5.5)
-0.90
Log P
-0.01
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
6.83
Polar Surface Area
28.68
Polarizability
8.71
Molar Refractivity
23.60
LOG S
-0.30
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation