Molecule card · MolClass #1770
Hydrastinine hydrochloride
Hydrastinine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Hydrastinine hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1770
- InChIKey
- LGDCROILDUSHQX-UHFFFAOYSA-N
- Canonical SMILES
- C[N+]=1CCc2cc3OCOc3(cc2(C=1))
- Standard InChI
- InChI=1S/C11H12NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-6H,2-3,7H2,1H3/q+1
- Stored Murcko scaffold
- O1c2cc3C=[NH+]CCc3cc2OC1
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.
- 24824138#35712
- [ClH-].C[N+]1CCc2cc3OCOc3cc2C=1#155441
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 190.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.381
- 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 · Hydrastinine hydrochloride