(E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
Formula:C13H13NO3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide |
| MolecularFormula | C13H13NO3Cl2S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(CC1)CS1(=O)=O |
| InChI | InChI=1S/C13H13Cl2NO3S/c14-10-3-1-9(12(15)7-10)2-4-13(17)16-11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8H2,(H,16,17)/t11-/m0/s1 |
| InChIK | HOUAEGPXYSVIQJ-NSHDSACASA-N |
| TotalMolweight | 334.222 |
| Molweight | 334.222 |
| MonoisotopicMass | 332.999318 |
| CLogP | 2.0033 |
| CLogS | -4.007 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.67 |
| Relative PSA | 0.23212 |
| PolarSurfaceArea | 71.62 |
| Druglikeness | -0.87234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
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