(2E)-2-(benzenesulfonylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
Formula:C23H16N3O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(benzenesulfonylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide is a drug-like molecule.
| MolName | (2E)-2-(benzenesulfonylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide |
| MolecularFormula | C23H16N3O4F3S |
| Smiles | O=C(C1=Cc(cccc2)c2O/C1=N/NS(c1ccccc1)(=O)=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H16F3N3O4S/c24-23(25,26)16-8-6-9-17(14-16)27-21(30)19-13-15-7-4-5-12-20(15)33-22(19)28-29-34(31,32)18-10-2-1-3-11-18/h1-14,29H,(H,27,30) |
| InChIK | WHMDPTXINZZSDW-UHFFFAOYSA-N |
| TotalMolweight | 487.457 |
| Molweight | 487.457 |
| MonoisotopicMass | 487.081361 |
| CLogP | 3.8562 |
| CLogS | -4.222 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 335.67 |
| Relative PSA | 0.25635 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | -8.3356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(benzenesulfonylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide | 2 - (2E)-2-(benzenesulfonylhydrazinylidene)-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off