Molecule

ID:2828

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂
Molecular Mass
120.15182
Exact Mass
120.06874827
Charge
0
InChI
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
InChIKey
PXXJHWLDUBFPOL-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccccc1
Isomeric Smiles
NC(=N)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.51
LogD (pH = 5.5)
-1.52
Log P
0.89
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.53
Polar Surface Area
49.87
Polarizability
12.92
Molar Refractivity
47.73
LOG S
-1.68
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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