Molecule card · MolClass #4575
51775-36-1
51775-36-1: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 4575
- InChIKey
- IPVMCZLCKVSKGC-UHFFFAOYSA-N
- Canonical SMILES
- C2C1C(C(C(CCl)(C1(CCl)(CCl))C2(Cl)Cl)Cl)Cl
- Standard InChI
- InChI=1S/C10H11Cl7/c11-2-8(3-12)5-1-10(16,17)9(8,4-13)7(15)6(5)14/h5-7H,1-4H2
- Stored Murcko scaffold
- C1CC2CCC1C2
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.
- LOPAC 00085#72
- LOPAC 00207#771
- 154159-06-5#2420
- 8001-35-2#3521
- 66860-80-8#3762
- 2371-42-8#5936
- 507-70-0#6174
- 142534-71-2#6282
- 464-43-7#7869
- 2371-42-8#8036
- 51775-36-1#8668
- ZINC03845981#23831
- 26659891#27693
- 26669516#29859
- 846966#33154
- 17407894#35182
- 14740839#46860
- 17512274#50470
- 857688#52416
- Cl.CC(C)C1C2CCC(C2)C1N#153609
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.516
- 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 · 51775-36-1