XI-006

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 1
PubChem 42640
Molecular Formula

C11H13N5O4

SMILES

CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3

synonyms
  • 58131-57-0
  • NSC 207895
  • NSC-207895
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Properties
Property Value
MW 279.25 g/mol
HBD 0
HBA 7
Rotatable Bond Count 1
Exact Mass 279.09675391 g/mol
Monoisotopic Mass 279.09675391 g/mol
Heavy Atom Count 20
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 370
xlogp 1.2
Topological Polar Surface Area 104