Molecule card · MolClass #7977
74339-98-3
74339-98-3: 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
- 7977
- InChIKey
- FWXWCFAETRJJCO-ZJSXRUAMSA-N
- Canonical SMILES
- OC6C=Cc2c(cc4c5ccccc5(cc3c1ccccc1c2c34))C6(O)
- Standard InChI
- InChI=1S/C24H16O2/c25-21-10-9-17-20(24(21)26)12-19-14-6-2-1-5-13(14)11-18-15-7-3-4-8-16(15)22(17)23(18)19/h1-12,21,24-26H/t21-,24-/m1/s1
- Stored Murcko scaffold
- c1ccc2c(c1)cc3-c4ccccc4-c5c6C=CCCc6cc2c35
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.
- 74339-98-3#7493
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
- 336.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.817
- 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 · 74339-98-3