Chemical Properties of Khellin

Khellin

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InChI
InChI=1S/C14H12O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h4-6H,1-3H3
InChI Key
HSMPDPBYAYSOBC-UHFFFAOYSA-N
Formula
C14H12O5
SMILES
COc1c2occc2c(OC)c2c(=O)cc(C)oc12
Molecular Weight1
260.24
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Physical Properties

Property Value Unit Source
log10WS [-3.02; -2.63]   Show Hide
log10WS -2.63 Aq. Sol...
log10WS -3.02 Estimat...
logPoct/wat 2.865 Crippen Calculated Property
McVol 179.090 ml/mol McGowan Calculated Property

Similar Compounds

Scopoletin «beta»-D-glucopyranoside, TFA. Indomethacin, isobutyl ester. 2-(2-furyl)-3-hydroxypiperidine. 2-(5-methyl-2-furyl)-3-hydroxy-piperidine. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. tubercidin. Penbutolol, TBDMS. Moexipril desethyl 3Me (Moexprilate 3Me). Moexipril Me. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Argentamin. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Baptifoline.

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Sources

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