Molecule card · MolClass #18489
1554367
1554367: 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
- 18489
- InChIKey
- JFIGMNBDLSGWHQ-UHFFFAOYSA-N
- Canonical SMILES
- OC1C2CCCC1C(CC2)N3CCCCC3
- Standard InChI
- InChI=1S/C14H25NO/c16-14-11-5-4-6-12(14)13(8-7-11)15-9-2-1-3-10-15/h11-14,16H,1-10H2
- Stored Murcko scaffold
- N1(CCCCC1)C2CCC3CCCC2C3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.337
- 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 · 1554367