Molecule

ID:64456

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃
Molecular Mass
147.17716
Exact Mass
147.0796473
Charge
0
InChI
InChI=1S/C8H9N3/c1-6-5-10-8-4-2-3-7(9)11(6)8/h2-5H,9H2,1H3
InChIKey
NXBRSDDSAAEVHN-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc2n1c(N)ccc2
Isomeric Smiles
n12c(ncc2C)cccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.76767606
LogD (pH = 7.4)
0.03605885
Log P
0.2194758
Molar Refractivity
45.0398
Polarizability
16.185966
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
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Molecule Details
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References
Bioactivity
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