(E)-3-phenyl-1-[5-[(E)-3-phenylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one
Formula:C23H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-1-[5-[(E)-3-phenylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-phenyl-1-[5-[(E)-3-phenylprop-2-enoyl]pyridin-3-yl]prop-2-en-1-one |
| MolecularFormula | C23H17NO2 |
| Smiles | O=C(/C=C/c1ccccc1)c1cc(C(/C=C/c2ccccc2)=O)cnc1 |
| InChI | InChI=1S/C23H17NO2/c25-22(13-11-18-7-3-1-4-8-18)20-15-21(17-24-16-20)23(26)14-12-19-9-5-2-6-10-19/h1-17H |
| InChIK | QYNXGJWHULMPBU-UHFFFAOYSA-N |
| TotalMolweight | 339.393 |
| Molweight | 339.393 |
| MonoisotopicMass | 339.125929 |
| CLogP | 3.9471 |
| CLogS | -5.269 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.04 |
| Relative PSA | 0.1323 |
| PolarSurfaceArea | 47.03 |
| Druglikeness | 0.28859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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