Molecule card · MolClass #2868
155164-60-6
155164-60-6: 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
- 2868
- InChIKey
- WQWFRUBZAGGLAR-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C(=C(C=NN1S(=O)(=O)c2ccc(cc2)Cl)Cl)Cl
- Standard InChI
- InChI=1S/C10H5Cl3N2O3S/c11-6-1-3-7(4-2-6)19(17,18)15-10(16)9(13)8(12)5-14-15/h1-5H
- Stored Murcko scaffold
- N1=CC=C[CH]N1Sc2ccccc2
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.
- 155164-59-3#3441
- 155164-58-2#5336
- 155164-57-1#5962
- 155164-62-8#6550
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 75.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.584 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.021
- 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 · 155164-60-6