(E)-N-[(3,5-dichlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
Formula:C14H10N2OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[(3,5-dichlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(3,5-dichlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C14H10N2OCl2S2 |
| Smiles | O=C(/C=C/c1cccs1)NC(Nc1cc(Cl)cc(Cl)c1)=S |
| InChI | InChI=1S/C14H10Cl2N2OS2/c15-9-6-10(16)8-11(7-9)17-14(20)18-13(19)4-3-12-2-1-5-21-12/h1-8H,(H2,17,18,19,20) |
| InChIK | WCJFHLRIKDRNKG-UHFFFAOYSA-N |
| TotalMolweight | 357.284 |
| Molweight | 357.284 |
| MonoisotopicMass | 355.961157 |
| CLogP | 4.3973 |
| CLogS | -5.525 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 259.68 |
| Relative PSA | 0.32471 |
| PolarSurfaceArea | 101.46 |
| Druglikeness | 1.5845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[(3,5-dichlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[(3,5-dichlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
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