Molecule

ID:21484

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
InChIKey
HDOUGSFASVGDCS-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1
Isomeric Smiles
n1cc(CN)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.061465
LogD (pH = 7.4)
-1.8631268
Log P
-0.11865818
Molar Refractivity
32.3745
Polarizability
12.804069
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation