(E)-2-(benzenesulfonyl)-3-[5-(2H-chromen-4-yl)thiophen-2-yl]prop-2-enenitrile
Formula:C22H15NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[5-(2H-chromen-4-yl)thiophen-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[5-(2H-chromen-4-yl)thiophen-2-yl]prop-2-enenitrile |
| MolecularFormula | C22H15NO3S2 |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c1ccc(C2=CCOc3c2cccc3)s1 |
| InChI | InChI=1S/C22H15NO3S2/c23-15-18(28(24,25)17-6-2-1-3-7-17)14-16-10-11-22(27-16)20-12-13-26-21-9-5-4-8-19(20)21/h1-12,14H,13H2 |
| InChIK | JOCNEBUEVXMQHS-UHFFFAOYSA-N |
| TotalMolweight | 405.497 |
| Molweight | 405.497 |
| MonoisotopicMass | 405.049334 |
| CLogP | 4.2604 |
| CLogS | -6.34 |
| H Acceptors | 4 |
| TotalSurfaceArea | 298.69 |
| Relative PSA | 0.24273 |
| PolarSurfaceArea | 103.78 |
| Druglikeness | -10.705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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