Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E60VWA40D2
EPA CompTox DTXSID9020798

Structure

InChI Key MQXVYODZCMMZEM-UHFFFAOYSA-N
Smiles OC(CNCCCl)C(O)C(O)C(O)CNCCCl
InChI
InChI=1S/C10H22Cl2N2O4/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12/h7-10,13-18H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22Cl2N2O4
Molecular Weight 304.1
AlogP -1.91
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 11.0
Polar Surface Area 104.98
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 576-68-1
NORMAN SUSDAT
FDA SRS E60VWA40D2
PubChem 11337
ChemSpider 10860.0