(E)-2-(benzenesulfonyl)-3-(2-morpholin-4-ylphenyl)prop-2-enenitrile
Formula:C19H18N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(2-morpholin-4-ylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(2-morpholin-4-ylphenyl)prop-2-enenitrile |
| MolecularFormula | C19H18N2O3S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cccc1)c1N1CCOCC1 |
| InChI | InChI=1S/C19H18N2O3S/c20-15-18(25(22,23)17-7-2-1-3-8-17)14-16-6-4-5-9-19(16)21-10-12-24-13-11-21/h1-9,14H,10-13H2 |
| InChIK | XDTNGJUOBVOBLF-UHFFFAOYSA-N |
| TotalMolweight | 354.429 |
| Molweight | 354.429 |
| MonoisotopicMass | 354.103813 |
| CLogP | 2.0785 |
| CLogS | -4.346 |
| H Acceptors | 5 |
| TotalSurfaceArea | 269.86 |
| Relative PSA | 0.20637 |
| PolarSurfaceArea | 78.78 |
| Druglikeness | -10.192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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