Structure

InChI Key FJIKWRGCXUCUIG-UHFFFAOYSA-N
Smiles CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21
InChI
InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12Cl2N2O2
Molecular Weight 335.19
AlogP 3.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 52.9
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Related Entries

Cross References

Resources Reference
ChEBI 52993
ChEMBL CHEMBL22097
DrugBank DB13872
DrugCentral 1608
FDA SRS GU56C842ZA
Human Metabolome Database HMDB0041919
Guide to Pharmacology 7553
PubChem 13314
SureChEMBL SCHEMBL43267