N-(2,4-dichlorophenyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]butanediamide
Formula:C15H12N4O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-(2,4-dichlorophenyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N-(2,4-dichlorophenyl)-N'-[(Z)-(5-nitrofuran-2-yl)methylideneamino]butanediamide |
| MolecularFormula | C15H12N4O5Cl2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCC(Nc(ccc(Cl)c2)c2Cl)=O)=O)o1)=O |
| InChI | InChI=1S/C15H12Cl2N4O5/c16-9-1-3-12(11(17)7-9)19-13(22)4-5-14(23)20-18-8-10-2-6-15(26-10)21(24)25/h1-3,6-8H,4-5H2,(H,19,22)(H,20,23) |
| InChIK | GXFVBSCXISVCHH-UHFFFAOYSA-N |
| TotalMolweight | 399.189 |
| Molweight | 399.189 |
| MonoisotopicMass | 398.018475 |
| CLogP | 2.8832 |
| CLogS | -6.204 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 287.92 |
| Relative PSA | 0.36482 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | 2.3229 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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