(E)-2-(4-chlorophenyl)sulfonyl-3-(1H-imidazol-5-yl)prop-2-enenitrile
Formula:C12H8N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-(1H-imidazol-5-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-(1H-imidazol-5-yl)prop-2-enenitrile |
| MolecularFormula | C12H8N3O2ClS |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c1cnc[nH]1 |
| InChI | InChI=1S/C12H8ClN3O2S/c13-9-1-3-11(4-2-9)19(17,18)12(6-14)5-10-7-15-8-16-10/h1-5,7-8H,(H,15,16) |
| InChIK | WYUCXONDJKQQLV-UHFFFAOYSA-N |
| TotalMolweight | 293.734 |
| Molweight | 293.734 |
| MonoisotopicMass | 293.002574 |
| CLogP | 1.2297 |
| CLogS | -3.818 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.77 |
| Relative PSA | 0.31685 |
| PolarSurfaceArea | 94.99 |
| Druglikeness | -2.3729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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