Molecule card · MolClass #14759
1918031
1918031: 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
- 14759
- InChIKey
- FLLFLUQBZFBTID-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2C(C)=[N+](C)CCn12
- Standard InChI
- InChI=1S/C10H15N2/c1-8-4-5-10-9(2)11(3)6-7-12(8)10/h4-5H,6-7H2,1-3H3/q+1
- Stored Murcko scaffold
- c1cc2C=[NH+]CCn2c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 7.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 163.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.987
- 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 · 1918031