(E)-3-(4-fluorophenyl)-N-pyrimidin-2-ylprop-2-enamide
Formula:C13H10N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-pyrimidin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-pyrimidin-2-ylprop-2-enamide |
| MolecularFormula | C13H10N3OF |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1ncccn1 |
| InChI | InChI=1S/C13H10FN3O/c14-11-5-2-10(3-6-11)4-7-12(18)17-13-15-8-1-9-16-13/h1-9H,(H,15,16,17,18) |
| InChIK | SGIXWLDDEPLJML-UHFFFAOYSA-N |
| TotalMolweight | 243.24 |
| Molweight | 243.24 |
| MonoisotopicMass | 243.08079 |
| CLogP | 2.0434 |
| CLogS | -3.079 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.6 |
| Relative PSA | 0.24112 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -1.7789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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