Molecule

ID:59531

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄
Molecular Mass
188.22908
Exact Mass
188.1061964
Charge
0
InChI
InChI=1S/C10H12N4/c1-7-2-4-8(5-3-7)9-6-14(12)10(11)13-9/h2-6H,12H2,1H3,(H2,11,13)
InChIKey
QPEKNLWXAGQIPS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cn(c(n1)N)N
Isomeric Smiles
c1(nc(n(c1)N)N)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.04229462
LogD (pH = 7.4)
1.0734379
Log P
1.2909979
Molar Refractivity
58.8867
Polarizability
22.142754
Polar Surface Area
69.86
Rotatable Bonds
1
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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