(E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C16H11N2OCl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C16H11N2OCl2FS |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NC(Nc(ccc(Cl)c1)c1Cl)=S |
| InChI | InChI=1S/C16H11Cl2FN2OS/c17-11-4-7-14(13(18)9-11)20-16(23)21-15(22)8-3-10-1-5-12(19)6-2-10/h1-9H,(H2,20,21,22,23) |
| InChIK | OMADBRUWJHCSIJ-UHFFFAOYSA-N |
| TotalMolweight | 369.246 |
| Molweight | 369.246 |
| MonoisotopicMass | 367.995315 |
| CLogP | 4.6315 |
| CLogS | -5.829 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 270.09 |
| Relative PSA | 0.23681 |
| PolarSurfaceArea | 73.22 |
| Druglikeness | -1.8108 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-[(2,4-dichlorophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
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