Molecule

ID:71804

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H,(H2,10,11)
InChIKey
BQQFSUKXGGGGLV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccn(n1)c1ccccc1
Isomeric Smiles
n1n(ccc1N)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8221225
LogD (pH = 7.4)
1.8245647
Log P
1.8245959
Molar Refractivity
49.4336
Polarizability
18.551538
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
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References
Bioactivity
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