N-(4-bromophenyl)-N'-[(Z)-(3-iodophenyl)methylideneamino]pentanediamide
Formula:C18H17N3O2BrI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-(3-iodophenyl)methylideneamino]pentanediamide is not a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-(3-iodophenyl)methylideneamino]pentanediamide |
| MolecularFormula | C18H17N3O2BrI |
| Smiles | O=C(CCCC(N/N=C\c1cccc(I)c1)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C18H17BrIN3O2/c19-14-7-9-16(10-8-14)22-17(24)5-2-6-18(25)23-21-12-13-3-1-4-15(20)11-13/h1,3-4,7-12H,2,5-6H2,(H,22,24)(H,23,25) |
| InChIK | RDIFYWUJIAAADG-UHFFFAOYSA-N |
| TotalMolweight | 514.156 |
| Molweight | 514.156 |
| MonoisotopicMass | 512.954886 |
| CLogP | 4.6694 |
| CLogS | -6.185 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 302.39 |
| Relative PSA | 0.20011 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -2.0602 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-(3-iodophenyl)methylideneamino]pentanediamide | 2 - N-(4-bromophenyl)-N'-[(Z)-(3-iodophenyl)methylideneamino]pentanediamide
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