Structure of molecule 92885

Molecule card · MolClass #92885

AZM906

AZM906: 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

MolClass ID
92885
InChIKey
MEWOMDUCJFJDGL-UHFFFAOYSA-N
Canonical SMILES
O=C(Nc1ccc(F)cc1)c2ccc([n+]([O-])c2)Cl
Standard InChI
InChI=1S/C12H8ClFN2O2/c13-11-6-1-8(7-16(11)18)12(17)15-10-4-2-9(14)3-5-10/h1-7H,(H,15,17)
Stored Murcko scaffold
c1ccc(cc1)N[CH]c2ccc[nH+]c2

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
1
CDK 2.12 · 2026-08-19
Rotatable bonds
3
CDK 2.12 · 2026-08-19
Topological polar surface area
56.04 Ų
CDK 2.12 · 2026-08-19
Molecular weight
266.656 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.178
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.

  • Microsome Clearance (AZ Hackathon)

    Dataset #31 · AZM906