Molecule card · MolClass #6313
93673-34-8
93673-34-8: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 6313
- InChIKey
- WNQQAOQARBZQHC-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2cc3c(cc2(c1))cc5C6OC6(c4cccc3c45)
- Standard InChI
- InChI=1S/C20H12O/c1-2-5-12-9-16-13(8-11(12)4-1)10-17-18-14(16)6-3-7-15(18)19-20(17)21-19/h1-10,19-20H
- Stored Murcko scaffold
- O1C2c3cccc4c5cc6ccccc6cc5cc(c43)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
- 1
- 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
- 12.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.212
- 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 · 93673-34-8
Ames Categorization
Dataset #6 · 93673-34-8