Molecule

ID:70352

General Information
Structure
Molecular Formula
C₈H₆N₂
Molecular Mass
130.14664
Exact Mass
130.0530982
Charge
0
InChI
InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChIKey
XSCHRSMBECNVNS-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)nccn2
Isomeric Smiles
n1ccnc2ccccc12
Calculated Properties
JChem
LogD (pH = 7.4)
1.30
LogD (pH = 5.5)
1.30
Log P
1.30
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
1.86
Polar Surface Area
25.78
Polarizability
13.33
Molar Refractivity
37.45
LOG S
-0.68
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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