Chemical Properties of californine

InChI

InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3

InChI Key

PGINMPJZCWDQNT-UHFFFAOYSA-N

Formula

C19H17NO4

SMILES

CN1C2Cc3cc4c(cc3C1Cc1cc3c(cc12)OCO3)OCO4

Molecular Weight¹

323.34

• 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	-4.77		Crippen Calculated Property
logPoct/wat	2.970		Crippen Calculated Property
McVol	221.070	ml/mol	McGowan Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		NIST
Inp	2615.00		NIST

Similar Compounds

Find more compounds similar to californine.

Sources

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

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