DM-nitrophen

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 13
PubChem 3084
Molecular Formula

C18H23N3O12

SMILES

COC1=C(C=C(C(=C1)C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23N3O12/c1-32-13-3-10(11(21(30)31)4-14(13)33-2)12(20(8-17(26)27)9-18(28)29)5-19(6-15(22)23)7-16(24)25/h3-4,12H,5-9H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)

synonyms
  • DM-Nitrophen
  • 117367-86-9
  • DMNP-EDTA
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Properties
Property Value
MW 473.4 g/mol
HBD 4
HBA 14
Rotatable Bond Count 14
Exact Mass 473.12817318 g/mol
Monoisotopic Mass 473.12817318 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 695
xlogp -4.6
Topological Polar Surface Area 220