Molecule card · MolClass #1812
Homochlorcyclizine dihydrochloride
Homochlorcyclizine dihydrochloride: 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
- Homochlorcyclizine dihydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1812
- InChIKey
- WEUCDJCFJHYFRL-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C(c2ccccc2)N3CCNCCC3
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
- 2
- 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
- 6.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.853 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.971
- 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 · Homochlorcyclizine dihydrochloride