Chemical Properties of Benzoyltropeine

InChI

InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+

InChI Key

XQJMXPAEFMWDOZ-WDNDVIMCSA-N

Formula

C15H19NO2

SMILES

CN1C2CCC1CC(OC(=O)c1ccccc1)C2

Molecular Weight¹

245.32

Other Names

• 3«alpha»-Benzoyloxytropane

• 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	-3.34		Crippen Calculated Property
logPoct/wat	2.469		Crippen Calculated Property
McVol	194.150	ml/mol	McGowan Calculated Property
Inp	[1907.00; 1968.00]
Inp	1968.00		NIST
Inp	1930.00		NIST
Inp	1907.00		NIST
Inp	1907.00		NIST

Similar Compounds

Find more compounds similar to Benzoyltropeine.

Sources

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

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