Molecule card · MolClass #8663
10184-51-7
10184-51-7: 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
- 8663
- InChIKey
- XRJABOXWAYIICL-UHFFFAOYSA-N
- Canonical SMILES
- Cn2cnc1=C(N)[N+](=O)[C-]N=c12
- Standard InChI
- InChI=1S/C6H7N5O/c1-10-2-8-4-5(7)11(12)3-9-6(4)10/h2-3H,7H2,1H3
- Stored Murcko scaffold
- n1c[nH]c2=N[CH-][NH+]C=c12
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
- 3
- 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
- 76.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 165.153 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.849
- 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.
Ames Categorization
Dataset #6 · 10184-51-7