Molecule card · MolClass #16735
1520940
1520940: 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
- 16735
- InChIKey
- ZEUCITLVTFDRAM-UHFFFAOYSA-N
- Canonical SMILES
- OC(=O)c1ccc(cc1)S(=O)(=O)n3ncc2ccccc23
- Standard InChI
- InChI=1S/C14H10N2O4S/c17-14(18)10-5-7-12(8-6-10)21(19,20)16-13-4-2-1-3-11(13)9-15-16/h1-9H,(H,17,18)
- Stored Murcko scaffold
- n1cc2ccccc2n1Sc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 302.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.113
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1520940