Chemical Properties of 3«alpha»-Nicotinoyloxytropane

InChI

InChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12+,13+

InChI Key

NHFDVEVAKLYKKT-ITGUQSILSA-N

Formula

C14H18N2O2

SMILES

CN1C2CCC1CC(OC(=O)c1cccnc1)C2

Molecular Weight¹

246.30

• 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	-3.10		Crippen Calculated Property
logPoct/wat	1.864		Crippen Calculated Property
McVol	190.040	ml/mol	McGowan Calculated Property
Inp	[1952.00; 1953.00]
Inp	1953.00		NIST
Inp	1952.00		NIST

Similar Compounds

Find more compounds similar to 3«alpha»-Nicotinoyloxytropane.

Sources

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

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