Status: Approved (1971)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1ZPG1ELY14

Structure

InChI Key VDNLFJGJEQUWRB-UHFFFAOYSA-N
Smile O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12
InChI
InChI=1S/C20H4Cl4I4O5/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28/h1-2,29H,(H,31,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H4Cl4I4O5
Molecular Weight 973.67
AlogP 9.0
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 87.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 87202
ChEMBL CHEMBL1208422
DrugBank DB11182
FDA SRS 1ZPG1ELY14
Human Metabolome Database HMDB0036613
Guide to Pharmacology 2393
PubChem 25474
SureChEMBL SCHEMBL1464825
ZINC ZINC000150338646