Molecule

ID:87506

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,9H2,1H3
InChIKey
KTIGGQXUSNNTRK-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)nc2n1cccc2
Isomeric Smiles
n12ccccc1nc(c2N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3197857
LogD (pH = 7.4)
-0.35650572
Log P
0.15128465
Molar Refractivity
44.4816
Polarizability
16.180683
Polar Surface Area
43.32
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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