Chemical Properties of RTI 12

InChI

InChI=1S/C14H13ClN4O/c1-3-19-12-9(5-4-8-16-12)14(20)18(2)10-6-7-11(15)17-13(10)19/h4-8H,3H2,1-2H3

InChI Key

YSEMEGXOKULCML-UHFFFAOYSA-N

Formula

C14H13ClN4O

SMILES

CCN1c2ncccc2C(=O)N(C)c2ccc(Cl)nc21

Molecular Weight¹

288.74

Other Names

• 133627-12-0

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-4.11; -4.11]
log10WS	-4.11		Aq. Solubility Prediction
log10WS	-4.11		Estimated Solubility
logPoct/wat	2.878		Crippen Calculated Property
McVol	203.470	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy 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 RTI 12.

Sources

• 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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