N-PROPYL-N'-NITRO-N-NITROSOGUANIDINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5021203

Structure

InChI Key PVVCHFOAZOVDRK-UHFFFAOYSA-N
Smiles CCCN(N=O)/C(=N/[N+](=O)[O-])/N
InChI
InChI=1S/C4H9N5O3/c1-2-3-8(7-10)4(5)6-9(11)12/h2-3H2,1H3,(H2,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N5O3
Molecular Weight 175.07
AlogP 0.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 111.69
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13010-07-6
NORMAN SUSDAT
ChemSpider 23857.0
CONTENTS