Molecule card · MolClass #6149
32425-83-5
32425-83-5: 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
- MolClass ID
- 6149
- InChIKey
- OMCHEZDTMLBVDV-UHFFFAOYSA-N
- Canonical SMILES
- O=C2CCc3ccc1c4ccccc4(ccc1c23)
- Standard InChI
- InChI=1S/C17H12O/c18-16-10-7-12-6-8-14-13-4-2-1-3-11(13)5-9-15(14)17(12)16/h1-6,8-9H,7,10H2
- Stored Murcko scaffold
- c1ccc2c(c1)ccc3c2ccc4c3[CH]CC4
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.
- 24684-42-2#5205
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.107
- 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.
Toxicity Benchmark
Dataset #5 · 32425-83-5