Molecule

ID:66473

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2
InChIKey
LVOASPZGXNAHJI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1cncc1
Isomeric Smiles
Nc1ccc(cc1)n1cncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24218516
LogD (pH = 7.4)
0.871937
Log P
0.90748435
Molar Refractivity
58.7068
Polarizability
18.565626
Polar Surface Area
43.84
Rotatable Bonds
1
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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