Structure

InChI Key RLWRMIYXDPXIEX-UHFFFAOYSA-N
Smile CC(c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O
InChI
InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11Cl2N3O
Molecular Weight 272.13
AlogP 2.56
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 58.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135124
ChEMBL CHEMBL1697760
DrugBank DB13801
DrugCentral 1858
FDA SRS 07Z36289ZX
PubChem 41386
SureChEMBL SCHEMBL123392