(E)-3-(4-fluoroanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
Formula:C19H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluoroanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-fluoroanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one |
| MolecularFormula | C19H14N3O2F |
| Smiles | O=C(/C=C/Nc(cc1)ccc1F)c(cc1)ccc1Oc1ncccn1 |
| InChI | InChI=1S/C19H14FN3O2/c20-15-4-6-16(7-5-15)21-13-10-18(24)14-2-8-17(9-3-14)25-19-22-11-1-12-23-19/h1-13,21H |
| InChIK | SSOAYCXKDARGSX-UHFFFAOYSA-N |
| TotalMolweight | 335.337 |
| Molweight | 335.337 |
| MonoisotopicMass | 335.107005 |
| CLogP | 2.7772 |
| CLogS | -5.664 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 262.36 |
| Relative PSA | 0.21512 |
| PolarSurfaceArea | 64.11 |
| Druglikeness | -0.8 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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