Chemical Properties of torac oxygen analog

InChI

InChI=1S/C14H17ClNO5PS/c1-3-20-22(19,21-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3

InChI Key

DGFSZLIRMFVRBS-UHFFFAOYSA-N

Formula

C14H17ClNO5PS

SMILES

CCOP(=O)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O

Molecular Weight¹

377.78

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

Physical Properties

Property	Value	Unit	Source
log10WS	-6.00		Crippen Calculated Property
logPoct/wat	3.762		Crippen Calculated Property
McVol	253.280	ml/mol	McGowan Calculated Property
Inp	[2482.00; 2569.00]
Inp	2482.00		NIST
Inp	2569.00		NIST

Similar Compounds

Find more compounds similar to torac oxygen analog.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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