(E)-2-(4-chlorophenyl)sulfonyl-3-(4-pyridin-2-ylsulfanylanilino)prop-2-enenitrile
Formula:C20H14N3O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-(4-pyridin-2-ylsulfanylanilino)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-(4-pyridin-2-ylsulfanylanilino)prop-2-enenitrile |
| MolecularFormula | C20H14N3O2ClS2 |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\Nc(cc1)ccc1Sc1ncccc1 |
| InChI | InChI=1S/C20H14ClN3O2S2/c21-15-4-10-18(11-5-15)28(25,26)19(13-22)14-24-16-6-8-17(9-7-16)27-20-3-1-2-12-23-20/h1-12,14,24H |
| InChIK | ZNCUBQLPXNUMEN-UHFFFAOYSA-N |
| TotalMolweight | 427.935 |
| Molweight | 427.935 |
| MonoisotopicMass | 427.021594 |
| CLogP | 3.1038 |
| CLogS | -5.679 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.91 |
| Relative PSA | 0.26393 |
| PolarSurfaceArea | 116.53 |
| Druglikeness | -3.1115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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