Molecule card · MolClass #2923

93673-32-6

93673-32-6: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

MolClass ID: 2923
InChIKey: YYAVCPKLYXJPGJ-UHFFFAOYSA-N
Canonical SMILES: c1ccc=3c(c1)=CC4=C2OC2=C5c6ccccc6(CC=3C45)
Standard InChI: InChI=1S/C20H12O/c1-3-7-13-11(5-1)10-16-17-15(13)9-12-6-2-4-8-14(12)18(17)20-19(16)21-20/h1-8,10,17H,9H2
Stored Murcko scaffold: O1C=2C1=C3c4ccccc4CC5=c6ccccc6=CC2C35

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 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 268.309 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.285; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Toxicity Benchmark
Dataset #5 · 93673-32-6