2-(4-chloro-2-iodophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H14N2O2ClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chloro-2-iodophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-chloro-2-iodophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H14N2O2ClI |
| Smiles | O=C(COc(ccc(Cl)c1)c1I)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H14ClIN2O2/c18-14-8-9-16(15(19)11-14)23-12-17(22)21-20-10-4-7-13-5-2-1-3-6-13/h1-11H,12H2,(H,21,22) |
| InChIK | QJLYBTLPFJAHMI-UHFFFAOYSA-N |
| TotalMolweight | 440.663 |
| Molweight | 440.663 |
| MonoisotopicMass | 439.978853 |
| CLogP | 3.8379 |
| CLogS | -5.545 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.95 |
| Relative PSA | 0.16494 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.7414 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-chloro-2-iodophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-chloro-2-iodophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
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