Molecule

ID:92595

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-11-6-9-3-2-4-10(5-9)14-8-12-7-13-14/h2-5,7-8,11H,6H2,1H3
InChIKey
LLGQTEDUTKNYIP-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)n1ncnc1
Isomeric Smiles
n1cncn1c1cc(ccc1)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2758226
LogD (pH = 7.4)
-1.4235203
Log P
0.9308935
Molar Refractivity
56.8418
Polarizability
21.73787
Polar Surface Area
42.74
Rotatable Bonds
3
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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