Chemical Properties of 3«alpha»-(4-Hydroxybenzoyloxy)tropane

InChI

InChI=1S/C15H19NO3/c1-16-11-4-5-12(16)9-14(8-11)19-15(18)10-2-6-13(17)7-3-10/h2-3,6-7,11-12,14,17H,4-5,8-9H2,1H3/t11-,12+,14+

InChI Key

VXNQEEYJSNEORM-IMRBUKKESA-N

Formula

C15H19NO3

SMILES

CN1C2CCC1CC(OC(=O)c1ccc(O)cc1)C2

Molecular Weight¹

261.32

• 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	-2.89		Crippen Calculated Property
logPoct/wat	2.174		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Inp	[2275.00; 2275.00]
Inp	2275.00		NIST
Inp	2275.00		NIST

Similar Compounds

Find more compounds similar to 3«alpha»-(4-Hydroxybenzoyloxy)tropane.

Sources

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

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