(2E)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
Formula:C22H15N3O4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-[(3-chloro-4-fluorophenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide |
| MolecularFormula | C22H15N3O4ClFS |
| Smiles | O=C(C1=Cc(cccc2)c2O/C1=N/NS(c(cc1)cc(Cl)c1F)(=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C22H15ClFN3O4S/c23-18-13-16(10-11-19(18)24)32(29,30)27-26-22-17(12-14-6-4-5-9-20(14)31-22)21(28)25-15-7-2-1-3-8-15/h1-13,27H,(H,25,28) |
| InChIK | NCOSGUQRXZKZJL-UHFFFAOYSA-N |
| TotalMolweight | 471.895 |
| Molweight | 471.895 |
| MonoisotopicMass | 471.045582 |
| CLogP | 3.7147 |
| CLogS | -4.494 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 327.98 |
| Relative PSA | 0.26236 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | 1.4123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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