Molecule

ID:65022

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃
Molecular Mass
119.124
Exact Mass
119.04834718
Charge
0
InChI
InChI=1S/C6H5N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H,(H,8,9)
InChIKey
UBOOKRVGOBKDMM-UHFFFAOYSA-N
Canonic Smiles
c1ncc2c(c1)[nH]cn2
Isomeric Smiles
n1ccc2[nH]cnc2c1
Calculated Properties
JChem
Acid pKa
10.942915
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.03855585
LogD (pH = 7.4)
0.041678432
Log P
0.04183157
Molar Refractivity
32.8116
Polarizability
13.772443
Polar Surface Area
41.57
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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