Molecule card · MolClass #18366
1953727
1953727: 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
- 18366
- InChIKey
- SXXSURZQZFFQHE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(c(C)c2(Cc1c(F)cccc1Cl))C(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C19H15Cl2FN2O/c1-11-15(10-16-17(21)4-3-5-18(16)22)12(2)24(23-11)19(25)13-6-8-14(20)9-7-13/h3-9H,10H2,1-2H3
- Stored Murcko scaffold
- n1cc(cn1[CH]c2ccccc2)Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.58
- 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 · 1953727