Chemical Properties of Phygrine

InChI

InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3/t13-,14-,15?/m0/s1

InChI Key

UBFAEXSSMSJTQV-ZYOSVBKOSA-N

Formula

C16H28N2O2

SMILES

CC(=O)CC1CCC(CC(=O)CC2CCCN2C)N1C

Molecular Weight¹

280.41

• 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	-2.35		Crippen Calculated Property
logPoct/wat	1.872		Crippen Calculated Property
McVol	237.680	ml/mol	McGowan Calculated Property
Inp	[2043.00; 2045.00]
Inp	2043.00		NIST
Inp	2045.00		NIST
Inp	2043.00		NIST
Inp	2045.00		NIST

Similar Compounds

Find more compounds similar to Phygrine.

Sources

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

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