Molecule card · MolClass #17426
1579934
1579934: 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
- 17426
- InChIKey
- HNZXWTJESCDKFM-UHFFFAOYSA-N
- Canonical SMILES
- ON2COc3ccc1ccccc1c3(C2)
- Standard InChI
- InChI=1S/C12H11NO2/c14-13-7-11-10-4-2-1-3-9(10)5-6-12(11)15-8-13/h1-6,14H,7-8H2
- Stored Murcko scaffold
- O1c2ccc3ccccc3c2CNC1
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.
- 24812155#36672
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- 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
- 32.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 201.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.481
- 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 · 1579934