Molecule card · MolClass #1764
Alverine citrate salt
Alverine citrate salt: 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
- Alverine citrate saltFlucanozole Synergizer · compound_name103555932Liver Toxcicity · compound_name
- MolClass ID
- 1764
- InChIKey
- ZPFXAOWNKLFJDN-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CCCc1ccccc1)CCCc2ccccc2
- Standard InChI
- InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CCCNCCCc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 3.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.436 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.938
- 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 · Alverine citrate salt
Liver Toxcicity
Dataset #17 · 103555932