(E)-1-(2-phenylmethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
Formula:C21H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-phenylmethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-phenylmethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C21H17NO2 |
| Smiles | O=C(/C=C/c1cnccc1)c(cccc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H17NO2/c23-20(13-12-17-9-6-14-22-15-17)19-10-4-5-11-21(19)24-16-18-7-2-1-3-8-18/h1-15H,16H2 |
| InChIK | SCRGISMWGLTKEM-UHFFFAOYSA-N |
| TotalMolweight | 315.371 |
| Molweight | 315.371 |
| MonoisotopicMass | 315.125929 |
| CLogP | 3.651 |
| CLogS | -4.386 |
| H Acceptors | 3 |
| TotalSurfaceArea | 259.55 |
| Relative PSA | 0.13103 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | 0.046285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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