N-(2,5-dichlorophenyl)-N'-[(Z)-(4-iodophenyl)methylideneamino]butanediamide
Formula:C17H14N3O2Cl2I
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-N'-[(Z)-(4-iodophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-N'-[(Z)-(4-iodophenyl)methylideneamino]butanediamide |
| MolecularFormula | C17H14N3O2Cl2I |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1I)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C17H14Cl2IN3O2/c18-12-3-6-14(19)15(9-12)22-16(24)7-8-17(25)23-21-10-11-1-4-13(20)5-2-11/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25) |
| InChIK | HLUXNWZKCCBALD-UHFFFAOYSA-N |
| TotalMolweight | 490.123 |
| Molweight | 490.123 |
| MonoisotopicMass | 488.950779 |
| CLogP | 4.7018 |
| CLogS | -6.553 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.84 |
| Relative PSA | 0.20114 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0534 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(2,5-dichlorophenyl)-N'-[(Z)-(4-iodophenyl)methylideneamino]butanediamide | 2 - N-(2,5-dichlorophenyl)-N'-[(Z)-(4-iodophenyl)methylideneamino]butanediamide
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