Structure of molecule 35650

Molecule card · MolClass #35650

14729436

14729436: 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
14729436Mitochondrial Fusion · compound_name
MolClass ID
35650
InChIKey
BQQZODRIJDCCPY-NTUHNPAUSA-N
Canonical SMILES
O=C2CC[N+](=Cc1ccc(cc1)Cl)[N-]2
Standard InChI
InChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7+
Stored Murcko scaffold
[N-]1[CH]CC[N+]1=Cc2ccccc2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
2
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
20.08 Ų
CDK 2.12 · 2026-08-19
Molecular weight
208.645 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.642
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 · 14729436