Molecule

ID:87090

General Information
Structure
MolImage
Molecular Formula
C₇H₃N₃
Molecular Mass
129.11882
Exact Mass
129.03269711
Charge
0
InChI
InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
InChIKey
HLAGQMFURMNTLW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccnc(c1)C#N
Isomeric Smiles
N#Cc1cc(ncc1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8536161
LogD (pH = 7.4)
0.8536161
Log P
0.8536161
Molar Refractivity
34.9723
Polarizability
13.101017
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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