N-(2,5-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]butanediamide
Formula:C17H13N3O2Cl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-(2,5-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]butanediamide is not a drug-like molecule.
| MolName | N-(2,5-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]butanediamide |
| MolecularFormula | C17H13N3O2Cl4 |
| Smiles | O=C(CCC(N/N=C\c(c(Cl)ccc1)c1Cl)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C17H13Cl4N3O2/c18-10-4-5-14(21)15(8-10)23-16(25)6-7-17(26)24-22-9-11-12(19)2-1-3-13(11)20/h1-5,8-9H,6-7H2,(H,23,25)(H,24,26) |
| InChIK | VPCRDNGGLOYDGO-UHFFFAOYSA-N |
| TotalMolweight | 433.121 |
| Molweight | 433.121 |
| MonoisotopicMass | 430.976185 |
| CLogP | 5.4767 |
| CLogS | -7.009 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 305.4 |
| Relative PSA | 0.19813 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.6212 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N-(2,5-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]butanediamide | 2 - N-(2,5-dichlorophenyl)-N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]butanediamide
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