N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-2,4-difluoroaniline
Formula:C14H10N2O4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-2,4-difluoroaniline is a drug-like molecule.
| MolName | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-2,4-difluoroaniline |
| MolecularFormula | C14H10N2O4F2S |
| Smiles | [O-][N+](/C(/S(c1ccccc1)(=O)=O)=C\Nc(ccc(F)c1)c1F)=O |
| InChI | InChI=1S/C14H10F2N2O4S/c15-10-6-7-13(12(16)8-10)17-9-14(18(19)20)23(21,22)11-4-2-1-3-5-11/h1-9,17H |
| InChIK | HORSMDVQNGSXEW-UHFFFAOYSA-N |
| TotalMolweight | 340.305 |
| Molweight | 340.305 |
| MonoisotopicMass | 340.032934 |
| CLogP | 1.1477 |
| CLogS | -4.837 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 234.14 |
| Relative PSA | 0.30093 |
| PolarSurfaceArea | 100.37 |
| Druglikeness | -15.256 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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