(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-chlorophenyl)chromene-3-carboxamide
Formula:C22H16N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-chlorophenyl)chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-chlorophenyl)chromene-3-carboxamide |
| MolecularFormula | C22H16N3O4ClS |
| Smiles | O=C(C1=Cc(cccc2)c2O/C1=N/NS(c1ccccc1)(=O)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C22H16ClN3O4S/c23-18-11-5-6-12-19(18)24-21(27)17-14-15-8-4-7-13-20(15)30-22(17)25-26-31(28,29)16-9-2-1-3-10-16/h1-14,26H,(H,24,27) |
| InChIK | WVCCYMSNJWXJHJ-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 | -1.3211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48387 |
| 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 | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-chlorophenyl)chromene-3-carboxamide | 2 - (2E)-2-(benzenesulfonylhydrazinylidene)-N-(2-chlorophenyl)chromene-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off