Molecule

ID:8669

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂
Molecular Mass
144.17322
Exact Mass
144.06874827
Charge
0
InChI
InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
InChIKey
SEULWJSKCVACTH-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)n1cncc1
Isomeric Smiles
c1ccc(cc1)n1ccnc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2610713
LogD (pH = 7.4)
1.7038611
Log P
1.7364103
Molar Refractivity
54.0064
Polarizability
17.456593
Polar Surface Area
17.82
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