Molecule card · MolClass #2013
Pralidoxime chloride
Pralidoxime chloride: 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
- Pralidoxime chlorideFlucanozole Synergizer · compound_name11532922Mitochondrial Fusion · compound_name
- MolClass ID
- 2013
- InChIKey
- JBKPUQTUERUYQE-UHFFFAOYSA-O
- Canonical SMILES
- C[n+]1ccccc1(C=NO)
- Standard InChI
- InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
- Stored Murcko scaffold
- c1cc[nH+]cc1
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.
- LOPAC 00224#957
- Trigonelline#1523
- CETYLPYRIDINIUM CHLORIDE#2071
- 1124-33-0#8699
- 535-83-1#9024
- 26041#11216
- ZINC04388804#23609
- ZINC21981990#23763
- ZINC00268249#23773
- HMDB02730#24078
- HMDB00569#24323
- 26671057#25569
- 26657579#25622
- 861387#26174
- 24802304#26918
- 24822702#28204
- 7976406#30914
- 17509967#31599
- 24814738#32805
- 17511781#35000
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 137.159 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.439
- 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 · Pralidoxime chloride
Mitochondrial Fusion
Dataset #19 · 11532922