Molecule

ID:83156

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,11H,10H2,1H3
InChIKey
ZZVVQSAUJWSQBV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)N)NC
Isomeric Smiles
N#Cc1ccc(c(c1)N)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4722296
LogD (pH = 7.4)
0.47318202
Log P
0.47319418
Molar Refractivity
46.6738
Polarizability
16.277802
Polar Surface Area
61.84
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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