Molecule card · MolClass #3519

207-09-0

207-09-0: 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

MolClass ID: 3519
InChIKey: WUFVHJGSUUJBSY-UHFFFAOYSA-N
Canonical SMILES: c1ccc2nc3c5cccc4cccc(c3(cc2(c1)))c45
Standard InChI: InChI=1S/C19H11N/c1-2-10-17-13(5-1)11-16-14-8-3-6-12-7-4-9-15(18(12)14)19(16)20-17/h1-11H
Stored Murcko scaffold: n1c2ccccc2cc-3c1-c4cccc5cccc3c54

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.

132297-89-3#4403
94223-87-7#6159

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: 12.89 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 253.298 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.338; 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.

Toxicity Benchmark
Dataset #5 · 207-09-0