Molecule card · MolClass #9334

Nalorphine

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

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: NalorphineBlood Brain Barrier · compound_name
MolClass ID: 9334
InChIKey: UIQMVEYFGZJHCZ-JNGUWMMZSA-N
Canonical SMILES: C=CCN2CCC45(C1C=CC(O)C5(Oc3c(O)ccc(CC12)c34))
Standard InChI: InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15+,18-,19-/m1/s1
Stored Murcko scaffold: O1c2cccc3c2C45CCNC(C3)C5C=CCC14

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.

57-27-2#2636
52-28-8#5051
52-28-8#8121
57-27-2#8385
Codeine#9343
103575820#25206

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 52.93 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 311.376 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.367; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Blood Brain Barrier
Dataset #7 · Nalorphine