(E)-2-(2-nitrophenyl)-N-phenylethenesulfonamide
Formula:C14H12N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(2-nitrophenyl)-N-phenylethenesulfonamide is a drug-like molecule.
| MolName | (E)-2-(2-nitrophenyl)-N-phenylethenesulfonamide |
| MolecularFormula | C14H12N2O4S |
| Smiles | [O-][N+](c1c(/C=C/S(Nc2ccccc2)(=O)=O)cccc1)=O |
| InChI | InChI=1S/C14H12N2O4S/c17-16(18)14-9-5-4-6-12(14)10-11-21(19,20)15-13-7-2-1-3-8-13/h1-11,15H |
| InChIK | ZNAVHDKZPSHBIW-UHFFFAOYSA-N |
| TotalMolweight | 304.325 |
| Molweight | 304.325 |
| MonoisotopicMass | 304.051778 |
| CLogP | 1.563 |
| CLogS | -4.839 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.23 |
| Relative PSA | 0.31564 |
| PolarSurfaceArea | 100.37 |
| Druglikeness | -6.2693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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