Metabolite (Z)-dehydrowarfarin

Name
(Z)-dehydrowarfarin
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 306.317
Monoisotopic: 306.089208931
Chemical Formula
C19H14O4
InChI Key
SWIPQYPHTPMNLK-PTNGSMBKSA-N
InChI
InChI=1S/C19H14O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-11,21H,1H3/b15-11-
IUPAC Name
4-hydroxy-3-(3-oxo-1-phenylbut-1-en-1-yl)-2H-chromen-2-one
SMILES
CC(=O)\C=C(\C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
Reactions
External Links
ChemSpider
57470284
ZINC
ZINC000104197941
Predicted Properties
PropertyValueSource
Water Solubility0.0141 mg/mLALOGPS
logP2.73ALOGPS
logP2.84ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)5.64ChemAxon
pKa (Strongest Basic)-6.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity87.69 m3·mol-1ChemAxon
Polarizability31.61 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon