Molecule

ID:88159

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-12-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,10H2,(H,11,12)
InChIKey
QMVCLSHKMIGEFN-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc2c(n1)cccc2
Isomeric Smiles
n1c2c(ccc1NN)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.42501995
LogD (pH = 7.4)
1.650417
Log P
2.1170006
Molar Refractivity
49.9995
Polarizability
19.561665
Polar Surface Area
50.94
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
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Molecule Details
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References
Bioactivity
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