(E)-2-cyano-N-(4-iodophenyl)-3-pyridin-4-ylprop-2-enamide
Formula:C15H10N3OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(4-iodophenyl)-3-pyridin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(4-iodophenyl)-3-pyridin-4-ylprop-2-enamide |
| MolecularFormula | C15H10N3OI |
| Smiles | N#C/C(/C(Nc(cc1)ccc1I)=O)=C\c1ccncc1 |
| InChI | InChI=1S/C15H10IN3O/c16-13-1-3-14(4-2-13)19-15(20)12(10-17)9-11-5-7-18-8-6-11/h1-9H,(H,19,20) |
| InChIK | UKYWYYLJNOMJHZ-UHFFFAOYSA-N |
| TotalMolweight | 375.164 |
| Molweight | 375.164 |
| MonoisotopicMass | 374.98686 |
| CLogP | 2.4245 |
| CLogS | -3.991 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.69 |
| Relative PSA | 0.20981 |
| PolarSurfaceArea | 65.78 |
| Druglikeness | -1.2444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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