Keyword(s): Natural Toxins
Molecule Category Free-form
UNII V7NW98OB34
EPA CompTox DTXSID6022399

Structure

InChI Key ZZIALNLLNHEQPJ-UHFFFAOYSA-N
Smiles Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
InChI
InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H8O5
Molecular Weight 268.04
AlogP 3.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Polar Surface Area 83.81
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 479-13-0
NORMAN SUSDAT
FDA SRS V7NW98OB34
PubChem 5281707
ChemSpider 4445024.0