(E)-3-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
Formula:C14H11NOCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C14H11NOCl2S |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCc1cccs1 |
| InChI | InChI=1S/C14H11Cl2NOS/c15-12-5-3-10(8-13(12)16)4-6-14(18)17-9-11-2-1-7-19-11/h1-8H,9H2,(H,17,18) |
| InChIK | TZBNXPPDCWRJQY-UHFFFAOYSA-N |
| TotalMolweight | 312.219 |
| Molweight | 312.219 |
| MonoisotopicMass | 310.993838 |
| CLogP | 3.9243 |
| CLogS | -4.796 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 229.27 |
| Relative PSA | 0.19566 |
| PolarSurfaceArea | 57.34 |
| Druglikeness | 2.1381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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