Molecule card · MolClass #23776
ZINC05966484
ZINC05966484: 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
- Imported compound names
- ZINC05966484Metabolite Likeness · compound_name
- MolClass ID
- 23776
- InChIKey
- AAARTTJTRNAYHQ-VHSXEESVSA-O
- Canonical SMILES
- C[N+]2CCCC1CCCCC12
- Standard InChI
- InChI=1S/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3/p+1/t9-,10+/m0/s1
- Stored Murcko scaffold
- C1CCC2[NH2+]CCCC2C1
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 4.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 154.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.112
- 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.
Metabolite Likeness
Dataset #15 · ZINC05966484