Molecule card · MolClass #36091
17413881
17413881: 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
- 17413881Mitochondrial Fusion · compound_name
- MolClass ID
- 36091
- InChIKey
- NQFRNQVFHZCIQQ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(=O)Cn1cnc(n1)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C8H13N5O3/c1-3-11(4-2)7(14)5-12-6-9-8(10-12)13(15)16/h6H,3-5H2,1-2H3
- Stored Murcko scaffold
- n1cn[nH]c1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 227.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.275
- 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.
Mitochondrial Fusion
Dataset #19 · 17413881