Molecule

ID:70213

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂
Molecular Mass
118.13594
Exact Mass
118.0530982
Charge
0
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
InChIKey
BAXOFTOLAUCFNW-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)[nH]nc2
Isomeric Smiles
[nH]1ncc2ccccc12
Calculated Properties
JChem
LogD (pH = 7.4)
1.65
LogD (pH = 5.5)
1.65
Log P
1.65
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
1.79
Polar Surface Area
28.68
Polarizability
12.13
Molar Refractivity
35.82
LOG S
-1.75
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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