Molecule card · MolClass #5180
603-35-0
603-35-0: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 5180
- InChIKey
- RIOQSEWOXXDEQQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)P(c2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- Stored Murcko scaffold
- c1ccc(cc1)P(c2ccccc2)c3ccccc3
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.
- 49667028#32897
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
- 13.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.943
- 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 · 603-35-0
Ames Categorization
Dataset #6 · 603-35-0