Molecule card · MolClass #35589

7977526

7977526: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names: 7977526Mitochondrial Fusion · compound_name
MolClass ID: 35589
InChIKey: MAHQFZCTVDFVNK-UHFFFAOYSA-N
Canonical SMILES: CC=3C(c1ccccc1)=[N+]([O-])C2(CCCC2)[N+]=3([O-])
Standard InChI: InChI=1S/C14H16N2O2/c1-11-13(12-7-3-2-4-8-12)16(18)14(15(11)17)9-5-6-10-14/h2-4,7-8H,5-6,9-10H2,1H3
Stored Murcko scaffold: c1ccc(cc1)C=2C=[NH+]C3([NH+]2)CCCC3

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: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.14 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 244.29 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.498; 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 · 7977526