Molecule

ID:64441

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃
Molecular Mass
119.124
Exact Mass
119.04834718
Charge
0
InChI
InChI=1S/C6H5N3/c1-2-4-9-6(3-1)7-5-8-9/h1-5H
InChIKey
DACWQSNZECJJGG-UHFFFAOYSA-N
Canonic Smiles
c1ccc2n(c1)ncn2
Isomeric Smiles
n12c(ncn1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1639792
LogD (pH = 7.4)
1.1647967
Log P
1.1648071
Molar Refractivity
44.7517
Polarizability
12.393203
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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