Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SEF8X7MXO4
EPA CompTox DTXSID00862064

Structure

InChI Key PMPQRINMBYHVSP-UHFFFAOYSA-N
Smiles ClN=C(N=NC(=NCl)N)N
InChI
InChI=1/C2H4Cl2N6/c3-7-1(5)9-10-2(6)8-4/h(H2,5,7)(H2,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl2N6
Molecular Weight 181.99
AlogP 0.79
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Polar Surface Area 96.48
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 502-98-7
NORMAN SUSDAT
FDA SRS SEF8X7MXO4