1,8-naphthalimide dicarboxylate | SBID = 1749 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 7.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H16N2Na2O6
M / g/mol: 402.30898
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest, charged
  • Name: 1,8-naphthalimide dicarboxylate
  • Preferred Abbreviation: 1,8-naphthalimide dicarboxylate
  • IUPAC Name:
  • CAS:
  • CID: -703
  • InChiKey: BFPMFSIKCACIHV-UHFFFAOYSA-L
  • InChi: InChI=1S/C18H16N2O6.2Na/c21-14(22)9-19(10-15(23)24)7-8-20-17(25)12-5-1-3-11-4-2-6-13(16(11)12)18(20)26;;/h1-6H,7-10H2,(H,21,22)(H,23,24);;/q;2*+1/p-2
  • CanoSmiles: [O-]C(CN(CC([O-])=O)CCN1C(C2=CC=CC3=CC=CC(C1=O)=C23)=O)=O.[Na+].[Na+]
  • IsoSmiles: [O-]C(CN(CC([O-])=O)CCN1C(C2=CC=CC3=CC=CC(C1=O)=C23)=O)=O.[Na+].[Na+]