Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 30933810WN

Structure

InChI Key RJQUHEYNLDNJLN-UHFFFAOYSA-N
Smiles COC(=O)c1c(c(c(c(n1)Cl)Cl)N)Cl
InChI
InChI=1S/C7H5Cl3N2O2/c1-14-7(13)5-2(8)4(11)3(9)6(10)12-5/h1H3,(H2,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Cl3N2O2
Molecular Weight 253.94
AlogP 2.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 65.21
Heavy Atoms 14.0

Cross References

Resources Reference
NORMAN SUSDAT
FDA SRS 30933810WN
PubChem 84224
ChemSpider 75981.0