Isatin

ScientificNameLabel

Isatin
PHCD compound ID :	4722
Chemical Names :	Isatin
Molecular Formula :	C8H5N1O2
Molecular Weight :	147.032028

More Details :

Names & Synonyms:	indoline-2,3-dione , 1H-indole-2,3-dione , isatin
Smiles:	O=C1C(=O)Nc2c1cccc2
InChi :	InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChi Key :	InChIKey=JXDYKVIHCLTXOP-UHFFFAOYSA-N
PubChem ID :	7054

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	9.477791
Hydrogen bond donor count :	1	Electric dipole moment :	4.953
XLogP :	0.262	VDW volume :	126.706338
Molecular weight :	147.032028	HOMO-LUMO gap :	8.103000

Herb list :

Woad - Isatis tinctoria - وسمه

Refrences & Litretures:


750. Journal:'Phytochemistry' Year:'2009' Volume:'70' Page:'924' DOI:'10.1016/j.phytochem.2009.04.019' Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'

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