2-iodo-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Formula:C18H16N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-iodo-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 2-iodo-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C18H16N3O2I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H16IN3O2/c19-16-11-5-4-10-15(16)18(24)20-13-17(23)22-21-12-6-9-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,24)(H,22,23) |
| InChIK | FSOOKPLQICBAOQ-UHFFFAOYSA-N |
| TotalMolweight | 433.244 |
| Molweight | 433.244 |
| MonoisotopicMass | 433.028725 |
| CLogP | 2.7407 |
| CLogS | -4.796 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 282.74 |
| Relative PSA | 0.21401 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.7844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-iodo-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide | 2 - 2-iodo-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
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