N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-iodophenyl)butanediamide
Formula:C17H15N3O2BrI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-iodophenyl)butanediamide is not a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-iodophenyl)butanediamide |
| MolecularFormula | C17H15N3O2BrI |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1Br)=O)Nc(cc1)ccc1I |
| InChI | InChI=1S/C17H15BrIN3O2/c18-13-3-1-12(2-4-13)11-20-22-17(24)10-9-16(23)21-15-7-5-14(19)6-8-15/h1-8,11H,9-10H2,(H,21,23)(H,22,24) |
| InChIK | CFEZNJUQCCXXAY-UHFFFAOYSA-N |
| TotalMolweight | 500.129 |
| Molweight | 500.129 |
| MonoisotopicMass | 498.939236 |
| CLogP | 4.215 |
| CLogS | -5.915 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 288.63 |
| Relative PSA | 0.20965 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.2285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| 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'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-iodophenyl)butanediamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-iodophenyl)butanediamide
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