(NE)-N-(2-cyano-1-phenyl-2-pyridin-2-ylethylidene)-4-fluorobenzenesulfonamide
Formula:C20H14N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(2-cyano-1-phenyl-2-pyridin-2-ylethylidene)-4-fluorobenzenesulfonamide is a drug-like molecule.
| MolName | (NE)-N-(2-cyano-1-phenyl-2-pyridin-2-ylethylidene)-4-fluorobenzenesulfonamide |
| MolecularFormula | C20H14N3O2FS |
| Smiles | N#CC(/C(/c1ccccc1)=N\S(c(cc1)ccc1F)(=O)=O)c1ncccc1 |
| InChI | InChI=1S/C20H14FN3O2S/c21-16-9-11-17(12-10-16)27(25,26)24-20(15-6-2-1-3-7-15)18(14-22)19-8-4-5-13-23-19/h1-13,18H/t18-/m1/s1 |
| InChIK | KZIGGHDFOZBVHI-GOSISDBHSA-N |
| TotalMolweight | 379.414 |
| Molweight | 379.414 |
| MonoisotopicMass | 379.079075 |
| CLogP | 3.0023 |
| CLogS | -4.586 |
| H Acceptors | 5 |
| TotalSurfaceArea | 283.65 |
| Relative PSA | 0.22782 |
| PolarSurfaceArea | 91.56 |
| Druglikeness | -4.2029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (NE)-N-(2-cyano-1-phenyl-2-pyridin-2-ylethylidene)-4-fluorobenzenesulfonamide | 2 - (NE)-N-(2-cyano-1-phenyl-2-pyridin-2-ylethylidene)-4-fluorobenzenesulfonamide
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