[4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C20H13N2O4BrCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C20H13N2O4BrCl2S |
| Smiles | O=C(c(cc1)ccc1Cl)Oc(cc1)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1Br |
| InChI | InChI=1S/C20H13BrCl2N2O4S/c21-15-3-10-19(29-20(26)13-1-4-16(22)5-2-13)14(11-15)12-24-25-30(27,28)18-8-6-17(23)7-9-18/h1-12,25H |
| InChIK | PGAWZRIQSZVENJ-UHFFFAOYSA-N |
| TotalMolweight | 528.209 |
| Molweight | 528.209 |
| MonoisotopicMass | 525.915643 |
| CLogP | 5.6448 |
| CLogS | -5.692 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 334.8 |
| Relative PSA | 0.22279 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 4.1368 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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