Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20459132

Structure

InChI Key INTQSGGUSUSCTJ-UHFFFAOYSA-N
Smiles ClCCCCc1nnnn1C1CCCCC1
InChI
InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H19Cl1N4
Molecular Weight 242.13
AlogP 2.74
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 43.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 73963-42-5
NORMAN SUSDAT
PubChem 11218739
ChemSpider 9393793.0