Molecule card · MolClass #9337
Midazolam
Midazolam: 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
- Imported compound names
- MidazolamBlood Brain Barrier · compound_name103189248Liver Toxcicity · compound_name
- MolClass ID
- 9337
- InChIKey
- DDLIGBOFAVUZHB-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ncc4CN=C(c1ccccc1(F))c2cc(ccc2n34)Cl
- Standard InChI
- InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
- Stored Murcko scaffold
- n1cc2n(c1)-c3ccccc3C(=NC2)c4ccccc4
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.
- 4-hydroxymidazolam#9116
- 1-hydroxymidazolam#9126
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 325.768 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.428
- 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.
Blood Brain Barrier
Dataset #7 · Midazolam
Liver Toxcicity
Dataset #17 · 103189248