4-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide
Formula:C19H14NO4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[5-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C19H14NO4ClS |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C/C(c(cc2)ccc2Cl)=O)o1)(=O)=O |
| InChI | InChI=1S/C19H14ClNO4S/c20-15-5-1-13(2-6-15)18(22)11-7-16-8-12-19(25-16)14-3-9-17(10-4-14)26(21,23)24/h1-12H,(H2,21,23,24) |
| InChIK | VIQGXPOPASUKRN-UHFFFAOYSA-N |
| TotalMolweight | 387.842 |
| Molweight | 387.842 |
| MonoisotopicMass | 387.033206 |
| CLogP | 3.6127 |
| CLogS | -5.935 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.24 |
| Relative PSA | 0.25426 |
| PolarSurfaceArea | 98.75 |
| Druglikeness | 5.9611 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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