Molecule card · MolClass #8826
93673-37-1
93673-37-1: 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
- 8826
- InChIKey
- MCTIAYJEJOIBHA-ICSRJNTNSA-N
- Canonical SMILES
- OC5C=Cc1c(ccc2c4C=Cc3cccc(cc12)c34)C5(O)
- Standard InChI
- InChI=1S/C20H14O2/c21-18-9-8-14-16(20(18)22)7-6-13-15-5-4-11-2-1-3-12(19(11)15)10-17(13)14/h1-10,18,20-22H/t18-,20-/m0/s1
- Stored Murcko scaffold
- c1cc2C=Cc3c4ccc5c(C=CCC5)c4cc(c1)c23
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.
- 93673-37-1#7483
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.325 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.571
- 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.
Ames Categorization
Dataset #6 · 93673-37-1