Molecule card · MolClass #7107
142438-61-7
142438-61-7: 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
- 7107
- InChIKey
- VXEGPEWUDKIHSH-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)C13(OC3(C(O)(NC1(=O))c2ccccc2))
- Standard InChI
- InChI=1S/C11H10N2O4/c12-8(14)10-7(17-10)11(16,13-9(10)15)6-4-2-1-3-5-6/h1-5,7,16H,(H2,12,14)(H,13,15)
- Stored Murcko scaffold
- O1C2[CH]NC(c3ccccc3)C12
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.795
- 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 · 142438-61-7