Molecule card · MolClass #5748
73077-95-9
73077-95-9: 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
- 5748
- InChIKey
- DYEVDYFJBDMJPK-UHFFFAOYSA-N
- Canonical SMILES
- O=Nc1cc2OCOc2(cc1(O))
- Standard InChI
- InChI=1S/C7H5NO4/c9-5-2-7-6(11-3-12-7)1-4(5)8-10/h1-2,9H,3H2
- Stored Murcko scaffold
- O1c2ccccc2OC1
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.
View all molecules with this 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
- 68.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 167.119 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.074
- 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 · 73077-95-9