[4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
Formula:C20H14N2O4BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C20H14N2O4BrClS |
| Smiles | O=C(c1ccccc1)Oc(cc1)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1Br |
| InChI | InChI=1S/C20H14BrClN2O4S/c21-16-6-11-19(28-20(25)14-4-2-1-3-5-14)15(12-16)13-23-24-29(26,27)18-9-7-17(22)8-10-18/h1-13,24H |
| InChIK | JHPNJJKXOGICJR-UHFFFAOYSA-N |
| TotalMolweight | 493.764 |
| Molweight | 493.764 |
| MonoisotopicMass | 491.954616 |
| CLogP | 5.0388 |
| CLogS | -4.956 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.38 |
| Relative PSA | 0.23355 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 2.42 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate | 2 - [4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off