Molecule

ID:37555

General Information
Structure
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChIKey
XDFZKQJLNGNJAN-UHFFFAOYSA-N
Canonic Smiles
Cn1c(N)nc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)nc(n2C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.055243164
LogD (pH = 7.4)
0.72423023
Log P
1.3385041
Molar Refractivity
44.0389
Polarizability
17.564566
Polar Surface Area
43.84
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
References
Bioactivity
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