Structure of molecule 1849

Molecule card · MolClass #1849

Furazolidone

Furazolidone: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

3 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
FurazolidoneFlucanozole Synergizer · compound_name
103304486Liver Toxcicity · compound_name
MolClass ID
1849
InChIKey
PLHJDBGFXBMTGZ-WEVVVXLNSA-N
Canonical SMILES
O=C2OCCN2(N=Cc1ccc(o1)[N+](=O)[O-])
Standard InChI
InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+
Stored Murcko scaffold
N(=Cc1occc1)N2[CH]OCC2

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
98.18 Ų
CDK 2.12 · 2026-08-19
Molecular weight
225.159 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.896
CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Flucanozole Synergizer

    Dataset #3 · Furazolidone

  • Ames Categorization

    Dataset #6 · 67-45-8

  • Liver Toxcicity

    Dataset #17 · 103304486