(2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
Formula:C20H15N2O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone is a drug-like molecule.
| MolName | (2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone |
| MolecularFormula | C20H15N2O3BrS |
| Smiles | O=C(/C(/S(c1ccccc1)(=O)=O)=N\Nc(cc1)ccc1Br)c1ccccc1 |
| InChI | InChI=1S/C20H15BrN2O3S/c21-16-11-13-17(14-12-16)22-23-20(19(24)15-7-3-1-4-8-15)27(25,26)18-9-5-2-6-10-18/h1-14,22H |
| InChIK | STKXQFUFVPDRSX-UHFFFAOYSA-N |
| TotalMolweight | 443.32 |
| Molweight | 443.32 |
| MonoisotopicMass | 441.998674 |
| CLogP | 4.5617 |
| CLogS | -4.774 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.17 |
| Relative PSA | 0.22107 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -7.8382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone | 2 - (2E)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off