[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C16H18NO4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C16H18NO4Cl |
| Smiles | O=C(COC(/C=C/c(cccc1)c1Cl)=O)NCC1OCCC1 |
| InChI | InChI=1S/C16H18ClNO4/c17-14-6-2-1-4-12(14)7-8-16(20)22-11-15(19)18-10-13-5-3-9-21-13/h1-2,4,6-8,13H,3,5,9-11H2,(H,18,19)/t13-/m1/s1 |
| InChIK | AJCQBBHYQSRAGT-CYBMUJFWSA-N |
| TotalMolweight | 323.775 |
| Molweight | 323.775 |
| MonoisotopicMass | 323.092436 |
| CLogP | 1.8913 |
| CLogS | -3.315 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.94 |
| Relative PSA | 0.23022 |
| PolarSurfaceArea | 64.63 |
| Druglikeness | -0.34991 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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