Structure of molecule 1448

Molecule card · MolClass #1448

Homatropine hydrobromide (R,S)

Homatropine hydrobromide (R,S): molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

Explore classification models

Structure and identifiers

Imported compound names
Homatropine hydrobromide (R,S)Flucanozole Synergizer · compound_name
MolClass ID
1448
InChIKey
ZTVIKZXZYLEVOL-MCOXGKPRSA-N
Canonical SMILES
CN3C1CCC3(CC(C1)OC(=O)C(O)c2ccccc2)
Standard InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?
Stored Murcko scaffold
O([CH]Cc1ccccc1)C2CC3NC(CC3)C2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
4
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
49.77 Ų
CDK 2.12 · 2026-08-19
Molecular weight
275.343 g/mol
CDK 2.12 · 2026-08-19
XLogP
1.755
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.

  • Flucanozole Synergizer

    Dataset #3 · Homatropine hydrobromide (R,S)