Chemical Properties of Consabatine

InChI

InChI=1S/C20H29NO4/c1-13(2)4-5-14-12-20(24,9-8-18(14)22)19(23)25-17-10-15-6-7-16(11-17)21(15)3/h4,12,15-17,24H,5-11H2,1-3H3/t15-,16+,17-,20?

InChI Key

JMHTUVBKARXGPJ-HBNZNPKYSA-N

Formula

C20H29NO4

SMILES

CC(C)=CCC1=CC(O)(C(=O)OC2CC3CCC(C2)N3C)CCC1=O

Molecular Weight¹

347.45

• 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	-4.01		Crippen Calculated Property
logPoct/wat	2.531		Crippen Calculated Property
McVol	276.340	ml/mol	McGowan Calculated Property
Inp	[2482.00; 2482.00]
Inp	2482.00		NIST
Inp	2482.00		NIST

Similar Compounds

Find more compounds similar to Consabatine.

Sources

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

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