Molecule

ID:57922

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c1-6-2-3-7-4-5-8(10)12-9(7)11-6/h2-5H,1H3,(H2,10,11,12)
InChIKey
ZIFGWWCUONMOLI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)nc(cc2)N
Isomeric Smiles
n1c2nc(ccc2ccc1N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1351235
LogD (pH = 7.4)
1.1351342
Log P
1.1351343
Molar Refractivity
49.0006
Polarizability
18.282225
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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