Molecule

ID:70809

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂
Molecular Mass
156.18392
Exact Mass
156.06874827
Charge
0
InChI
InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
InChIKey
ROFVEXUMMXZLPA-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)c1ccccn1
Isomeric Smiles
c1(ccccn1)c1ccccn1
Calculated Properties
JChem
LogD (pH = 7.4)
1.96
LogD (pH = 5.5)
1.92
Log P
1.96
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.50
Polar Surface Area
25.78
Polarizability
16.79
Molar Refractivity
46.14
LOG S
-1.23
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