(E)-2-cyano-N-(3-iodophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
Formula:C22H15N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(3-iodophenyl)-3-(3-phenoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(3-iodophenyl)-3-(3-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C22H15N2O2I |
| Smiles | N#C/C(/C(Nc1cccc(I)c1)=O)=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H15IN2O2/c23-18-7-5-8-19(14-18)25-22(26)17(15-24)12-16-6-4-11-21(13-16)27-20-9-2-1-3-10-20/h1-14H,(H,25,26) |
| InChIK | JGRPSFBGYLTKCX-UHFFFAOYSA-N |
| TotalMolweight | 466.273 |
| Molweight | 466.273 |
| MonoisotopicMass | 466.017826 |
| CLogP | 4.821 |
| CLogS | -7.083 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.69 |
| Relative PSA | 0.15773 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -1.2825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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