Molecule

ID:81951

General Information
Structure
MolImage
Molecular Formula
C₇H₃N₃
Molecular Mass
129.11882
Exact Mass
129.03269711
Charge
0
InChI
InChI=1S/C7H3N3/c8-3-6-1-2-10-5-7(6)4-9/h1-2,5H
InChIKey
ALJUMASAQKRVRM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnccc1C#N
Isomeric Smiles
N#Cc1c(ccnc1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.46776575
LogD (pH = 7.4)
0.46776578
Log P
0.46776578
Molar Refractivity
35.3443
Polarizability
13.098327
Polar Surface Area
60.47
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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