4-[5-[(Z)-2-cyano-2-phenylethenyl]furan-2-yl]benzenesulfonamide
Formula:C19H14N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-2-cyano-2-phenylethenyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[5-[(Z)-2-cyano-2-phenylethenyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C19H14N2O3S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C(/c2ccccc2)\C#N)o1)(=O)=O |
| InChI | InChI=1S/C19H14N2O3S/c20-13-16(14-4-2-1-3-5-14)12-17-8-11-19(24-17)15-6-9-18(10-7-15)25(21,22)23/h1-12H,(H2,21,22,23) |
| InChIK | XYTTXNMMGAHPKK-UHFFFAOYSA-N |
| TotalMolweight | 350.397 |
| Molweight | 350.397 |
| MonoisotopicMass | 350.072513 |
| CLogP | 3.0355 |
| CLogS | -4.988 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.99 |
| Relative PSA | 0.26888 |
| PolarSurfaceArea | 105.47 |
| Druglikeness | -0.68765 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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