(E)-N-(3-chloro-2-hydroxy-5-nitrophenyl)-2-phenylethenesulfonamide
Formula:C14H11N2O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-chloro-2-hydroxy-5-nitrophenyl)-2-phenylethenesulfonamide is a drug-like molecule.
| MolName | (E)-N-(3-chloro-2-hydroxy-5-nitrophenyl)-2-phenylethenesulfonamide |
| MolecularFormula | C14H11N2O5ClS |
| Smiles | [O-][N+](c(cc1NS(/C=C/c2ccccc2)(=O)=O)cc(Cl)c1O)=O |
| InChI | InChI=1S/C14H11ClN2O5S/c15-12-8-11(17(19)20)9-13(14(12)18)16-23(21,22)7-6-10-4-2-1-3-5-10/h1-9,16,18H |
| InChIK | KBZRWERDGYCIEE-UHFFFAOYSA-N |
| TotalMolweight | 354.769 |
| Molweight | 354.769 |
| MonoisotopicMass | 354.00772 |
| CLogP | 1.8233 |
| CLogS | -5.279 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 245 |
| Relative PSA | 0.34106 |
| PolarSurfaceArea | 120.6 |
| Druglikeness | -5.3895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-(3-chloro-2-hydroxy-5-nitrophenyl)-2-phenylethenesulfonamide | 2 - (E)-N-(3-chloro-2-hydroxy-5-nitrophenyl)-2-phenylethenesulfonamide
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