(E)-3-(3-iodophenyl)-N-pyridin-3-ylprop-2-enamide
Formula:C14H11N2OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-iodophenyl)-N-pyridin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-iodophenyl)-N-pyridin-3-ylprop-2-enamide |
| MolecularFormula | C14H11N2OI |
| Smiles | O=C(/C=C/c1cccc(I)c1)Nc1cnccc1 |
| InChI | InChI=1S/C14H11IN2O/c15-12-4-1-3-11(9-12)6-7-14(18)17-13-5-2-8-16-10-13/h1-10H,(H,17,18) |
| InChIK | ITPHUPHAIGTXLG-UHFFFAOYSA-N |
| TotalMolweight | 350.154 |
| Molweight | 350.154 |
| MonoisotopicMass | 349.991611 |
| CLogP | 2.5725 |
| CLogS | -3.719 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.77 |
| Relative PSA | 0.16593 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.15679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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