Chemical Properties of Paroxetine, N-acetyl-

InChI

InChI=1S/C21H22FNO4/c1-14(24)23-9-8-19(15-2-4-17(22)5-3-15)16(11-23)12-25-18-6-7-20-21(10-18)27-13-26-20/h2-7,10,16,19H,8-9,11-13H2,1H3

InChI Key

UQXZOFZRYGCMMY-UHFFFAOYSA-N

Formula

C21H22FNO4

SMILES

CC(=O)N1CCC(c2ccc(F)cc2)C(COc2ccc3c(c2)OCO3)C1

Molecular Weight¹

371.40

Other Names

• Paroxetine, acetyl

• 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	-4.64		Crippen Calculated Property
logPoct/wat	3.585		Crippen Calculated Property
McVol	268.440	ml/mol	McGowan Calculated Property
Inp	[2980.00; 2980.00]
Inp	2980.00		NIST
Inp	2980.00		NIST

Similar Compounds

Find more compounds similar to Paroxetine, N-acetyl-.

Sources

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

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