Molecule

ID:28666

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃
Molecular Mass
135.16646
Exact Mass
135.0796473
Charge
0
InChI
InChI=1S/C7H9N3/c8-7-5-2-1-3-6(5)9-4-10-7/h4H,1-3H2,(H2,8,9,10)
InChIKey
KWLUCRCCWCBGDT-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1CCC2
Isomeric Smiles
c12c(ncnc1CCC2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2429024
LogD (pH = 7.4)
0.6866897
Log P
0.69686854
Molar Refractivity
40.1936
Polarizability
14.317341
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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