Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII SLC2P2PLG8
EPA CompTox DTXSID70240234

Structure

InChI Key ZNZGJSLHXOMREP-UHFFFAOYSA-N
Smiles Cl.Cl.C1CN(CCN1)c2ncccn2
InChI
InChI=1/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14Cl2N4
Molecular Weight 236.06
AlogP 0.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.05
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 94021-22-4
NORMAN SUSDAT
FDA SRS SLC2P2PLG8