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General Information
Pubchem ID: 6669
IUPAC Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Synonym/s: ---, ---
Molecular Formula: C14H18N2O5
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 294.3000
Number of Atoms: 39
Rotatable Bonds: 4
Molecular Refractivity (m³ • mol-1 ): 79.850
Physico-chemical Properties
Volume (cm³ • mol-1 ): 908.39
Solvent Accessible Surface Area (Ų): 502.28
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: None
AlogP: 3.73
Polar Surface Area (Å): 103.35
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Unsatisfied
Ghose Filter: Satisfied
Functional Group/s