[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
Formula:C15H12NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C15H12NO3F |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1F)=O)c1ccc[nH]1 |
| InChI | InChI=1S/C15H12FNO3/c16-12-6-3-11(4-7-12)5-8-15(19)20-10-14(18)13-2-1-9-17-13/h1-9,17H,10H2 |
| InChIK | IOGHYAXMDYIXOI-UHFFFAOYSA-N |
| TotalMolweight | 273.262 |
| Molweight | 273.262 |
| MonoisotopicMass | 273.080122 |
| CLogP | 1.739 |
| CLogS | -3.105 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.7 |
| Relative PSA | 0.23321 |
| PolarSurfaceArea | 59.16 |
| Druglikeness | -0.21786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate | 2 - [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off