2,5-PYRROLIDINEDIONE, 1-[2-[[2-[[2-[(2-AMINOETHYL) AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-, MONOPOLYISOBUTENYL DERIVS., REACTION PRODUCTS WITH MOLYBDENUM OXIDE (M0O3), SULFURIZED

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key QXIBZXNSEWJBCQ-UHFFFAOYSA-N
Smiles [O--].[O--].[O--].[Mo].CC(C)CC1CC(=O)N(CNCNCNCN)C1=O
InChI
InChI=1S/C12H25N5O2/c1-9(2)3-10-4-11(18)17(12(10)19)8-16-7-15-6-14-5-13/h9-10,14-16H,3-8,13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H25N5O2
Molecular Weight 271.2
AlogP -1.03
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 99.49
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 72269-41-1
NORMAN SUSDAT
CONTENTS