Molecule card · MolClass #17323
1944148
1944148: 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
- 17323
- InChIKey
- GZXGETYLQOEMGT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nnc(SCc1ccc(cc1)C(=O)O)s2
- Standard InChI
- InChI=1S/C11H10N2O2S2/c1-7-12-13-11(17-7)16-6-8-2-4-9(5-3-8)10(14)15/h2-5H,6H2,1H3,(H,14,15)
- Stored Murcko scaffold
- n1nc(sc1)SCc2ccccc2
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.
- 4262372#35392
- FC(F)(F)c1cccc(CSc2sc(S)nn2)c1#155000
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.867
- 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 · 1944148