(E)-3-pyridin-2-yl-1-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]prop-2-en-1-one
Formula:C22H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-2-yl-1-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-pyridin-2-yl-1-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H16N2O2 |
| Smiles | O=C(/C=C/c1ncccc1)c(cc1)ccc1C(/C=C/c1ncccc1)=O |
| InChI | InChI=1S/C22H16N2O2/c25-21(13-11-19-5-1-3-15-23-19)17-7-9-18(10-8-17)22(26)14-12-20-6-2-4-16-24-20/h1-16H |
| InChIK | DZMILOAZQVYDST-UHFFFAOYSA-N |
| TotalMolweight | 340.381 |
| Molweight | 340.381 |
| MonoisotopicMass | 340.121178 |
| CLogP | 3.0542 |
| CLogS | -4.522 |
| H Acceptors | 4 |
| TotalSurfaceArea | 278.8 |
| Relative PSA | 0.17224 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 0.28859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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