Molecule card · MolClass #6550
155164-62-8
155164-62-8: 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
- 6550
- InChIKey
- NQHSCBFGRVCBOA-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C(=C(C=NN1S(=O)(=O)c2ccc(cc2Cl)Cl)Cl)Cl
- Standard InChI
- InChI=1S/C10H4Cl4N2O3S/c11-5-1-2-8(6(12)3-5)20(18,19)16-10(17)9(14)7(13)4-15-16/h1-4H
- 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.
- 155164-60-6#2868
- 155164-59-3#3441
- 155164-58-2#5336
- 155164-57-1#5962
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
- 374.029 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.643
- 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 · 155164-62-8