Molecule

ID:40530

General Information
Structure
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-5-6-4-7(9)2-3-8(6)10-11/h2-5H,9H2,1H3
InChIKey
MJIJVSMBCITEKW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cn(n2)C
Isomeric Smiles
c12c(nn(c1)C)ccc(c2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9439136
LogD (pH = 7.4)
0.9474616
Log P
0.947507
Molar Refractivity
55.74
Polarizability
17.569832
Polar Surface Area
43.84
Rotatable Bonds
0
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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