Molecule card · MolClass #3367
36193-75-6
36193-75-6: 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
- 3367
- InChIKey
- WTOZDOKOAJOGKT-UHFFFAOYSA-N
- Canonical SMILES
- Nc2cnc3ccc1ccccc1c3(c2)
- Standard InChI
- InChI=1S/C13H10N2/c14-10-7-12-11-4-2-1-3-9(11)5-6-13(12)15-8-10/h1-8H,14H2
- Stored Murcko scaffold
- n1cccc2c1ccc3ccccc32
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.
- 163275-66-9#3265
- 163275-67-0#4313
- 163275-65-8#4327
- 163275-68-1#4533
- 131862-17-4#6150
- 85-02-9#6606
- 49673265#34365
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
- 2.574
- 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 · 36193-75-6