Molecule card · MolClass #37932

24805962

24805962: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 24805962Mitochondrial Fusion · compound_name
MolClass ID: 37932
InChIKey: RZALPUUXZXOVSF-UHFFFAOYSA-N
Canonical SMILES: CCNC=1c2ccccc2(OC(=O)C=1[N+](=O)[O-])
Standard InChI: InChI=1S/C11H10N2O4/c1-2-12-9-7-5-3-4-6-8(7)17-11(14)10(9)13(15)16/h3-6,12H,2H2,1H3
Stored Murcko scaffold: O1[CH]C=Cc2ccccc12

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 81.47 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 234.209 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.243; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 24805962