Molecule card · MolClass #4069
142762-84-3
142762-84-3: 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
- 4069
- InChIKey
- UANHXIZTSSEALZ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)C1CSC2C(=C(C(=O)N12)Cl)Cl
- Standard InChI
- InChI=1S/C8H7Cl2NO3S/c1-14-8(13)3-2-15-7-5(10)4(9)6(12)11(3)7/h3,7H,2H2,1H3
- Stored Murcko scaffold
- S1CCN2[CH]C=CC12
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.118 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.055
- 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 · 142762-84-3