phenyl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidate
Formula:C19H14NO3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidate is not a drug-like molecule.
| MolName | phenyl (Z)-N-(4-bromophenyl)sulfonylbenzenecarboximidate |
| MolecularFormula | C19H14NO3BrS |
| Smiles | O=S(c(cc1)ccc1Br)(/N=C(/c1ccccc1)\Oc1ccccc1)=O |
| InChI | InChI=1S/C19H14BrNO3S/c20-16-11-13-18(14-12-16)25(22,23)21-19(15-7-3-1-4-8-15)24-17-9-5-2-6-10-17/h1-14H |
| InChIK | QMRLSFBQKVLJHJ-UHFFFAOYSA-N |
| TotalMolweight | 416.294 |
| Molweight | 416.294 |
| MonoisotopicMass | 414.987775 |
| CLogP | 5.0179 |
| CLogS | -5.012 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.96 |
| Relative PSA | 0.18351 |
| PolarSurfaceArea | 64.11 |
| Druglikeness | -0.099737 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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