Molecule

ID:118560

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c9-5-7-6-10-11-4-2-1-3-8(7)11/h1-4,6H,5,9H2
InChIKey
CUKKPJJAMSZCEC-UHFFFAOYSA-N
Canonic Smiles
NCc1cnn2c1cccc2
Isomeric Smiles
n12c(c(cn1)CN)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3223996
LogD (pH = 7.4)
-1.1682826
Log P
0.62895143
Molar Refractivity
54.4513
Polarizability
17.331879
Polar Surface Area
43.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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