Molecule card · MolClass #23799
ZINC23180205
ZINC23180205: 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
- ZINC23180205Metabolite Likeness · compound_name
- MolClass ID
- 23799
- InChIKey
- HPONRVBIQNYGHC-PZRMXXKTSA-P
- Canonical SMILES
- CC1C([N+])C2C([N+])CNC12
- Standard InChI
- InChI=1S/C7H15N3/c1-3-6(9)5-4(8)2-10-7(3)5/h3-7,10H,2,8-9H2,1H3/p+2/t3-,4+,5+,6-,7+/m1/s1
- Stored Murcko scaffold
- N1CCC2CCC12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 143.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.082
- 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 · ZINC23180205