Molecule card · MolClass #6940

4741-24-6

4741-24-6: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

MolClass ID: 6940
InChIKey: SRWMCQYMZIZLAY-UHFFFAOYSA-N
Canonical SMILES: c1ccc2c(c1)C4OOC2c3ccccc34
Standard InChI: InChI=1S/C14H10O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)16-15-13/h1-8,13-14H
Stored Murcko scaffold: O1OC2c3ccccc3C1c4ccccc42

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: 2; 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: 18.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 210.229 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.672; 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 · 4741-24-6