Molecule

ID:89028

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃
Molecular Mass
159.18786
Exact Mass
159.0796473
Charge
0
InChI
InChI=1S/C9H9N3/c10-7-3-4-8-6(9(7)11)2-1-5-12-8/h1-5H,10-11H2
InChIKey
NQVVFKIVIFJKLA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1N)cccn2
Isomeric Smiles
n1cccc2c(c(ccc12)N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.0036904202
LogD (pH = 7.4)
0.4614911
Log P
0.47304857
Molar Refractivity
49.3801
Polarizability
19.260456
Polar Surface Area
64.93
Rotatable Bonds
0
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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