Chemical Properties of kebuzone

InChI

InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3

InChI Key

LGYTZKPVOAIUKX-UHFFFAOYSA-N

Formula

C19H18N2O3

SMILES

CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

Molecular Weight¹

322.36

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	[-3.27; -3.27]
log10WS	-3.27		Aq. Solubility Prediction
log10WS	-3.27		Estimated Solubility
logPoct/wat	2.967		Crippen Calculated Property
McVol	244.860	ml/mol	McGowan Calculated Property
Tboil	683.64	K	Relay (1.0) Calculated Property
Tfus	435.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to kebuzone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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