(2E)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
Formula:C22H16N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide |
| MolecularFormula | C22H16N3O4ClS |
| Smiles | O=C(C1=Cc(cccc2)c2O/C1=N/NS(c(cc1)ccc1Cl)(=O)=O)Nc1ccccc1 |
| InChI | InChI=1S/C22H16ClN3O4S/c23-16-10-12-18(13-11-16)31(28,29)26-25-22-19(14-15-6-4-5-9-20(15)30-22)21(27)24-17-7-2-1-3-8-17/h1-14,26H,(H,24,27) |
| InChIK | KKLUODWUFPDVAK-UHFFFAOYSA-N |
| TotalMolweight | 453.905 |
| Molweight | 453.905 |
| MonoisotopicMass | 453.055004 |
| CLogP | 3.6139 |
| CLogS | -4.18 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 321.63 |
| Relative PSA | 0.26754 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | 5.0435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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