Molecule

ID:32940

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2
InChIKey
UIYKQBXRFZCXFX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1n1cccn1
Isomeric Smiles
n1(nccc1)c1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2117219
LogD (pH = 7.4)
1.2299016
Log P
1.2301384
Molar Refractivity
49.1201
Polarizability
18.561232
Polar Surface Area
43.84
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
No Data Available
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Molecule Details
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References
Bioactivity
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