Molecule

ID:15479

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₄O₂
Molecular Mass
236.27034
Exact Mass
236.12732577
Charge
0
InChI
InChI=1S/C11H16N4O2/c1-11(2,3)10(17)14-8-6-7(4-5-13-8)9(16)15-12/h4-6H,12H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKey
KEWBXPIEWGXSRK-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccnc(c1)NC(=O)C(C)(C)C
Isomeric Smiles
c1cnc(cc1C(=O)NN)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.885884
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.94045126
LogD (pH = 7.4)
0.9414164
Log P
0.9414423
Molar Refractivity
66.3425
Polarizability
24.130024
Polar Surface Area
97.11
Rotatable Bonds
3
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
References
Bioactivity
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