Molecule card · MolClass #1738
Nifuroxazide
Nifuroxazide: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- NifuroxazideFlucanozole Synergizer · compound_name
- MolClass ID
- 1738
- InChIKey
- YCWSUKQGVSGXJO-NTUHNPAUSA-N
- Canonical SMILES
- Oc1ccc(cc1)C(=O)NN=Cc2ccc(o2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
- Stored Murcko scaffold
- N(=Cc1occc1)N[CH]c2ccccc2
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.
- 1912639#11857
- 1917258#13737
- [O-][N+](=O)c1oc(cc1)C=NNC(=O)c1ccc(O)cc1#155421
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 117.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.217 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.352
- 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 · Nifuroxazide
Ames Categorization
Dataset #6 · 965-52-6