Molecule

ID:64544

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃
Molecular Mass
119.124
Exact Mass
119.04834718
Charge
0
InChI
InChI=1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H
InChIKey
VTVRXITWWZGKHV-UHFFFAOYSA-N
Canonic Smiles
c1cnn2c(c1)ncc2
Isomeric Smiles
n12c(ncc2)cccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.64952004
LogD (pH = 7.4)
0.65292895
Log P
0.65297264
Molar Refractivity
43.7736
Polarizability
12.391158
Polar Surface Area
30.19
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
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References
Bioactivity
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