Molecule

ID:114000

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c1-6-5-8-7(12-9(6)10)3-2-4-11-8/h2-5H,1H3,(H2,10,12)
InChIKey
QRLYUZQZBLJANT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2ncccc2nc1N
Isomeric Smiles
n1c(c(cc2c1cccn2)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4695076
LogD (pH = 7.4)
1.5764757
Log P
1.5780313
Molar Refractivity
47.5055
Polarizability
18.976408
Polar Surface Area
51.8
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
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References
Bioactivity
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