Molecule card · MolClass #5382

2550-75-6

2550-75-6: 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: 5382
InChIKey: FUZORIOHZSVKAW-UHFFFAOYSA-N
Canonical SMILES: C(C1C(CCl)C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl
Standard InChI: InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2
Stored Murcko scaffold: C1=CC2CCC1C2

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.

3048-64-4#4039
NOCAS_M343#5604
115-28-6#8875
2550-75-6#8895
3048-64-4#8897
1269670#18088
3715694#26271
851205#27611
857069#29303
26729436#29834
14727961#46246

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 0 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 397.768 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.459; 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.

Toxicity Benchmark
Dataset #5 · 2550-75-6