Chemical Properties of 3-Phenylacetoxy-6-hydroxytropane

InChI

InChI=1S/C16H21NO3/c1-17-12-8-13(10-14(17)15(18)9-12)20-16(19)7-11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13?,14+,15?/m0/s1

InChI Key

NHJIGOBHFARUPD-FGZQJIAISA-N

Formula

C16H21NO3

SMILES

CN1C2CC(OC(=O)Cc3ccccc3)CC1C(O)C2

Molecular Weight¹

275.34

• 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	-2.56		Crippen Calculated Property
logPoct/wat	1.368		Crippen Calculated Property
McVol	214.110	ml/mol	McGowan Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST

Similar Compounds

Find more compounds similar to 3-Phenylacetoxy-6-hydroxytropane.

Sources

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

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