Molecule

ID:116995

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄
Molecular Mass
174.2025
Exact Mass
174.09054634
Charge
0
InChI
InChI=1S/C9H10N4/c10-6-9-12-11-7-13(9)8-4-2-1-3-5-8/h1-5,7H,6,10H2
InChIKey
CTECDWWQYWVAQO-UHFFFAOYSA-N
Canonic Smiles
NCc1nncn1c1ccccc1
Isomeric Smiles
n1(c(nnc1)CN)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0200877
LogD (pH = 7.4)
-1.2787346
Log P
-0.6789
Molar Refractivity
62.023
Polarizability
19.906494
Polar Surface Area
56.73
Rotatable Bonds
2
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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