Molecule card · MolClass #5153
142184-78-9
142184-78-9: 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
- 5153
- InChIKey
- DLTXKFCMJDWKEV-UHFFFAOYSA-N
- Canonical SMILES
- c1cnc3c(c1)C2OC2C4OC34
- Standard InChI
- InChI=1S/C9H7NO2/c1-2-4-5(10-3-1)7-9(12-7)8-6(4)11-8/h1-3,6-9H
- Stored Murcko scaffold
- n1cccc2c1C3OC3C4OC24
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.
- 142129-81-5#7588
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 161.158 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.075
- 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 · 142184-78-9