(2E)-2-[(3-bromobenzoyl)hydrazinylidene]-N-phenylchromene-3-carboxamide
Formula:C23H16N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(3-bromobenzoyl)hydrazinylidene]-N-phenylchromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-[(3-bromobenzoyl)hydrazinylidene]-N-phenylchromene-3-carboxamide |
| MolecularFormula | C23H16N3O3Br |
| Smiles | O=C(c1cccc(Br)c1)N/N=C1/Oc(cccc2)c2C=C1C(Nc1ccccc1)=O |
| InChI | InChI=1S/C23H16BrN3O3/c24-17-9-6-8-16(13-17)21(28)26-27-23-19(14-15-7-4-5-12-20(15)30-23)22(29)25-18-10-2-1-3-11-18/h1-14H,(H,25,29)(H,26,28) |
| InChIK | KEBPUQIFHSDJDA-UHFFFAOYSA-N |
| TotalMolweight | 462.302 |
| Molweight | 462.302 |
| MonoisotopicMass | 461.037503 |
| CLogP | 4.6576 |
| CLogS | -6.083 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 314.01 |
| Relative PSA | 0.22455 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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