Molecule card · MolClass #6283
67410-22-4
67410-22-4: 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
- 6283
- InChIKey
- ADDJIAQBVKRVFQ-UHFFFAOYSA-N
- Canonical SMILES
- Nc2ccc3ccc1ccccc1c3(n2)
- Standard InChI
- InChI=1S/C13H10N2/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12/h1-8H,(H2,14,15)
- Stored Murcko scaffold
- n1cccc2ccc3ccccc3c12
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.
- 163275-58-9#2614
- 163275-62-5#3203
- 163275-57-8#5768
- 163275-61-4#6031
- 163275-60-3#6379
- 163275-64-7#6808
- 230-27-3#7192
- 163275-59-0#7286
- 3643-2657#24685
- 24811349#29509
- 49644446#33140
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.232 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.302
- 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 · 67410-22-4