Molecule

ID:109605

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃
Molecular Mass
135.16646
Exact Mass
135.0796473
Charge
0
InChI
InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKey
QRJZGVVKGFIGLI-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccccc1
Isomeric Smiles
NC(=N)Nc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.4677593
LogD (pH = 7.4)
-1.4330732
Log P
0.9472388
Molar Refractivity
52.1918
Polarizability
15.16664
Polar Surface Area
61.9
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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