(E)-3-(2,4-dichlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide
Formula:C16H15NO2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide |
| MolecularFormula | C16H15NO2Cl2S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NCCSCc1ccco1 |
| InChI | InChI=1S/C16H15Cl2NO2S/c17-13-5-3-12(15(18)10-13)4-6-16(20)19-7-9-22-11-14-2-1-8-21-14/h1-6,8,10H,7,9,11H2,(H,19,20) |
| InChIK | VOSDTOLLVZWTPR-UHFFFAOYSA-N |
| TotalMolweight | 356.272 |
| Molweight | 356.272 |
| MonoisotopicMass | 355.020053 |
| CLogP | 3.868 |
| CLogS | -5.401 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.03 |
| Relative PSA | 0.2093 |
| PolarSurfaceArea | 67.54 |
| Druglikeness | 0.72332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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