Molecule card · MolClass #15496
1913510
1913510: 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
- 15496
- InChIKey
- LCQFABGPQKTVPJ-UHFFFAOYSA-O
- Canonical SMILES
- NC=2c3ccccc3(C[N+]=2(c1ccccc1))
- Standard InChI
- InChI=1S/C14H12N2/c15-14-13-9-5-4-6-11(13)10-16(14)12-7-2-1-3-8-12/h1-9,15H,10H2/p+1
- Stored Murcko scaffold
- c1ccc(cc1)[N+]2=Cc3ccccc3C2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 209.267 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.999
- 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 · 1913510