(E)-2-(benzenesulfonyl)-3-(prop-2-ynylamino)prop-2-enenitrile
Formula:C12H10N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(prop-2-ynylamino)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(prop-2-ynylamino)prop-2-enenitrile |
| MolecularFormula | C12H10N2O2S |
| Smiles | C#CCN/C=C(\C#N)/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C12H10N2O2S/c1-2-8-14-10-12(9-13)17(15,16)11-6-4-3-5-7-11/h1,3-7,10,14H,8H2 |
| InChIK | PUTVJEBLPNJFSL-UHFFFAOYSA-N |
| TotalMolweight | 246.289 |
| Molweight | 246.289 |
| MonoisotopicMass | 246.046298 |
| CLogP | -0.1013 |
| CLogS | -3.306 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.29 |
| Relative PSA | 0.27168 |
| PolarSurfaceArea | 78.34 |
| Druglikeness | -12.287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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