2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C19H14NO4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C19H14NO4Cl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)OCCN(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C19H14ClNO4/c20-16-8-4-1-5-13(16)9-10-17(22)25-12-11-21-18(23)14-6-2-3-7-15(14)19(21)24/h1-10H,11-12H2 |
| InChIK | RGMFFOOCZCIAIY-UHFFFAOYSA-N |
| TotalMolweight | 355.776 |
| Molweight | 355.776 |
| MonoisotopicMass | 355.061136 |
| CLogP | 3.3368 |
| CLogS | -4.104 |
| H Acceptors | 5 |
| TotalSurfaceArea | 262.51 |
| Relative PSA | 0.20064 |
| PolarSurfaceArea | 63.68 |
| Druglikeness | 1.6392 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate | 2 - 2-(1,3-dioxoisoindol-2-yl)ethyl (E)-3-(2-chlorophenyl)prop-2-enoate
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