Molecule card · MolClass #4983
24496-65-9
24496-65-9: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 4983
- InChIKey
- NLBIGNMWLDESFD-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2c(c1)cc3ccc4cccc5ncc2c3c45
- Standard InChI
- InChI=1S/C19H11N/c1-2-6-15-13(4-1)10-14-9-8-12-5-3-7-17-19(12)18(14)16(15)11-20-17/h1-11H
- Stored Murcko scaffold
- n1cc2c3ccccc3cc4ccc5cccc1c5c42
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.249
- 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 · 24496-65-9
Ames Categorization
Dataset #6 · 24496-65-9