Molecule card · MolClass #18059
1947390
1947390: 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
- 18059
- InChIKey
- FZWUCEJPJYFOOI-MBEWDDOBSA-N
- Canonical SMILES
- COc3ccccc3(C=C2C(=NO)C1CCN2(CC1))
- Standard InChI
- InChI=1S/C15H18N2O2/c1-19-14-5-3-2-4-12(14)10-13-15(16-18)11-6-8-17(13)9-7-11/h2-5,10-11,18H,6-9H2,1H3/b13-10-,16-15-
- Stored Murcko scaffold
- c1ccc(cc1)C=C2[CH]C3CCN2CC3
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.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.843
- 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 · 1947390