Structure of molecule 1834

Molecule card · MolClass #1834

Pramoxine hydrochloride

Pramoxine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Pramoxine hydrochlorideFlucanozole Synergizer · compound_name
PRAMOXINE HYDROCHLORIDECompound accumulation in C. elegans · compound_name
MolClass ID
1834
InChIKey
DQKXQSGTHWVTAD-UHFFFAOYSA-N
Canonical SMILES
CCCCOc1ccc(cc1)OCCCN2CCOCC2
Standard InChI
InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
Stored Murcko scaffold
O(c1ccccc1)CCCN2CCOCC2

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
2
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
9
CDK 2.12 · 2026-08-19
Topological polar surface area
30.93 Ų
CDK 2.12 · 2026-08-19
Molecular weight
293.402 g/mol
CDK 2.12 · 2026-08-19
XLogP
3.013
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 · Pramoxine hydrochloride

  • Compound accumulation in C. elegans

    Dataset #4 · -0.425400289526244