Molecule

ID:15925

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2
InChIKey
LNYPHLYYOBNSPF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc2c(c1)nccn2
Isomeric Smiles
c1cnc2c(n1)cc(cc2)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5416791
LogD (pH = 7.4)
-1.4618028
Log P
0.4248468
Molar Refractivity
45.9238
Polarizability
19.475716
Polar Surface Area
51.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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