Molecule

ID:68905

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)
InChIKey
ORLGLBZRQYOWNA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(c1)N
Isomeric Smiles
c1(cc(ccn1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.36774576
LogD (pH = 7.4)
0.63217837
Log P
1.0345263
Molar Refractivity
33.9562
Polarizability
12.332636
Polar Surface Area
38.91
Rotatable Bonds
0
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