Molecule

ID:121907

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,10-11H2
InChIKey
JYFRBECAJLHOEK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c2c1nccc2)N
Isomeric Smiles
c12c(nccc2)c(ccc1N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3611142
LogD (pH = 7.4)
0.47142658
Log P
0.47304857
Molar Refractivity
49.3801
Polarizability
19.26357
Polar Surface Area
64.93
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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