Molecule

ID:91985

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃
Molecular Mass
93.08672
Exact Mass
93.03269711
Charge
0
InChI
InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H
InChIKey
SLPWXZZHNSOZPX-UHFFFAOYSA-N
Canonic Smiles
N#Cn1cncc1
Isomeric Smiles
n1cn(cc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.024018688
LogD (pH = 7.4)
0.05772974
Log P
0.058968354
Molar Refractivity
24.8684
Polarizability
9.00448
Polar Surface Area
41.61
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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