Molecule card · MolClass #16307
1939212
1939212: 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
- 16307
- InChIKey
- QTDZSUZTZNHIEH-VXLYETTFSA-N
- Canonical SMILES
- CC(CCc3oc1ccc(cc1c3(c2ccc(C)o2))Cl)=NO
- Standard InChI
- InChI=1S/C17H16ClNO3/c1-10(19-20)3-6-16-17(15-7-4-11(2)21-15)13-9-12(18)5-8-14(13)22-16/h4-5,7-9,20H,3,6H2,1-2H3/b19-10+
- Stored Murcko scaffold
- o1cccc1-c2coc3ccccc32
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.767 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.885
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1939212