Molecule card · MolClass #5223
1210-35-1
1210-35-1: 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
- 5223
- InChIKey
- BMVWCPGVLSILMU-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3ccccc3(CCc1ccccc12)
- Standard InChI
- InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]c3ccccc3CC2
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 00484#250
- LOPAC 00524#796
- Cl.CN(C)CCC=C1c2ccccc2CCc2ccccc21#153808
- Cl.CNCCC=C1c2ccccc2CCc2ccccc21#153829
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 208.256 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.9
- 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 · 1210-35-1
Ames Categorization
Dataset #6 · 1210-35-1