Molecule

ID:64331

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-5H,9H2,1H3
InChIKey
KNZJAZZOKTUEHM-UHFFFAOYSA-N
Canonic Smiles
Cn1cc2c(n1)c(N)ccc2
Isomeric Smiles
c12c(cn(n1)C)cccc2N
Calculated Properties
JChem
Acid pKa
19.028072
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9472055
LogD (pH = 7.4)
0.9475032
Log P
0.947507
Molar Refractivity
55.74
Polarizability
17.57266
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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