Molecule card · MolClass #13200
1918584
1918584: 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
- 13200
- InChIKey
- XFTFESMGIFGXLA-VOTSOKGWSA-N
- Canonical SMILES
- Cc1ccc(o1)C(=O)C=Cc2cccc(F)c2
- Standard InChI
- InChI=1S/C14H11FO2/c1-10-5-8-14(17-10)13(16)7-6-11-3-2-4-12(15)9-11/h2-9H,1H3/b7-6+
- Stored Murcko scaffold
- o1cccc1[CH]C=Cc2ccccc2
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.
- 51087929#34217
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.071
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1918584