[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
Formula:C15H12NO3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate |
| MolecularFormula | C15H12NO3Cl |
| Smiles | O=C(COC(/C=C/c(cccc1)c1Cl)=O)c1ccc[nH]1 |
| InChI | InChI=1S/C15H12ClNO3/c16-12-5-2-1-4-11(12)7-8-15(19)20-10-14(18)13-6-3-9-17-13/h1-9,17H,10H2 |
| InChIK | GVDYGFKOJLNTFR-UHFFFAOYSA-N |
| TotalMolweight | 289.717 |
| Molweight | 289.717 |
| MonoisotopicMass | 289.050571 |
| CLogP | 2.2442 |
| CLogS | -3.527 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.77 |
| Relative PSA | 0.22376 |
| PolarSurfaceArea | 59.16 |
| Druglikeness | 1.1939 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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