Molecule

ID:60370

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃O₃
Molecular Mass
249.2658
Exact Mass
249.11134136
Charge
0
InChI
InChI=1S/C12H15N3O3/c1-18-10-5-3-2-4-9(10)15-7-8(6-11(15)16)12(17)14-13/h2-5,8H,6-7,13H2,1H3,(H,14,17)
InChIKey
SDBDQZCITLUBJT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC(=O)N(C1)c1ccccc1OC
Isomeric Smiles
C1C(=O)N(CC1C(=O)NN)c1ccccc1OC
Calculated Properties
JChem
Acid pKa
12.356437
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.58166623
LogD (pH = 7.4)
-0.58043253
Log P
-0.5804124
Molar Refractivity
65.7876
Polarizability
25.196587
Polar Surface Area
84.66
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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