N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3,4-dichloroaniline
Formula:C14H10N2O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3,4-dichloroaniline is a drug-like molecule.
| MolName | N-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3,4-dichloroaniline |
| MolecularFormula | C14H10N2O4Cl2S |
| Smiles | [O-][N+](/C(/S(c1ccccc1)(=O)=O)=C\Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C14H10Cl2N2O4S/c15-12-7-6-10(8-13(12)16)17-9-14(18(19)20)23(21,22)11-4-2-1-3-5-11/h1-9,17H |
| InChIK | BIBZUCGNDHWLIN-UHFFFAOYSA-N |
| TotalMolweight | 373.215 |
| Molweight | 373.215 |
| MonoisotopicMass | 371.973832 |
| CLogP | 2.1581 |
| CLogS | -5.681 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 252.28 |
| Relative PSA | 0.27929 |
| PolarSurfaceArea | 100.37 |
| Druglikeness | -14.812 |
| 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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