Chemical Properties of Phyllalbine

InChI

InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3

InChI Key

OZKTVDIYALBSMA-UHFFFAOYSA-N

Formula

C16H21NO4

SMILES

COc1cc(C(=O)OC2CC3CCC(C2)N3C)ccc1O

Molecular Weight¹

291.34

• 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	-3.01		Crippen Calculated Property
logPoct/wat	2.183		Crippen Calculated Property
McVol	219.980	ml/mol	McGowan Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST

Similar Compounds

Find more compounds similar to Phyllalbine.

Sources

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

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