[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Formula:C16H17NO4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate |
| MolecularFormula | C16H17NO4Cl2 |
| Smiles | O=C(COC(/C=C/c(ccc(Cl)c1)c1Cl)=O)NCC1OCCC1 |
| InChI | InChI=1S/C16H17Cl2NO4/c17-12-5-3-11(14(18)8-12)4-6-16(21)23-10-15(20)19-9-13-2-1-7-22-13/h3-6,8,13H,1-2,7,9-10H2,(H,19,20)/t13-/m1/s1 |
| InChIK | WFGOPMDLXGOJBC-CYBMUJFWSA-N |
| TotalMolweight | 358.22 |
| Molweight | 358.22 |
| MonoisotopicMass | 357.053463 |
| CLogP | 2.4973 |
| CLogS | -4.051 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 265.36 |
| Relative PSA | 0.21684 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | -0.34991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate | 2 - [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
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