N-(4-iodophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide
Formula:C19H18N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-iodophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide is a drug-like molecule.
| MolName | N-(4-iodophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide |
| MolecularFormula | C19H18N3O2I |
| Smiles | O=C(CCC(N/N=C\C=C\c1ccccc1)=O)Nc(cc1)ccc1I |
| InChI | InChI=1S/C19H18IN3O2/c20-16-8-10-17(11-9-16)22-18(24)12-13-19(25)23-21-14-4-7-15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H,22,24)(H,23,25) |
| InChIK | ZDRCLRIZTUYBMI-UHFFFAOYSA-N |
| TotalMolweight | 447.271 |
| Molweight | 447.271 |
| MonoisotopicMass | 447.044375 |
| CLogP | 3.5081 |
| CLogS | -5.373 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 296.5 |
| Relative PSA | 0.20408 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0921 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-iodophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide | 2 - N-(4-iodophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]butanediamide
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