(E)-3-anilino-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-anilino-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one |
| MolecularFormula | C19H15N3O2 |
| Smiles | O=C(/C=C/Nc1ccccc1)c(cc1)ccc1Oc1ncccn1 |
| InChI | InChI=1S/C19H15N3O2/c23-18(11-14-20-16-5-2-1-3-6-16)15-7-9-17(10-8-15)24-19-21-12-4-13-22-19/h1-14,20H |
| InChIK | NXYRSULAPVFPOB-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 2.6764 |
| CLogS | -5.35 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.01 |
| Relative PSA | 0.22046 |
| PolarSurfaceArea | 64.11 |
| Druglikeness | 0.54 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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