Molecule card · MolClass #17302
1912307
1912307: 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
- 17302
- InChIKey
- HZSINMVZSCUMLF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(N)nc(c1Cl)Sc2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C11H9Cl2N3S/c1-6-9(13)10(16-11(14)15-6)17-8-4-2-7(12)3-5-8/h2-5H,1H3,(H2,14,15,16)
- Stored Murcko scaffold
- n1cnc(Sc2ccccc2)cc1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.182 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.545
- 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 · 1912307