N-[[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl]-N'-(3,4-dichlorophenyl)oxamide
Formula:C21H14N4O4Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl]-N'-(3,4-dichlorophenyl)oxamide is not a drug-like molecule.
| MolName | N-[[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl]-N'-(3,4-dichlorophenyl)oxamide |
| MolecularFormula | C21H14N4O4Cl4 |
| Smiles | O=C(C(Nc(cc1)cc(Cl)c1Cl)=O)NCc1ccc(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)o1 |
| InChI | InChI=1S/C21H14Cl4N4O4/c22-11-1-5-15(17(24)7-11)19(30)29-27-10-14-4-3-13(33-14)9-26-20(31)21(32)28-12-2-6-16(23)18(25)8-12/h1-8,10H,9H2,(H,26,31)(H,28,32)(H,29,30) |
| InChIK | LYBNGXWKVNASAZ-UHFFFAOYSA-N |
| TotalMolweight | 528.178 |
| Molweight | 528.178 |
| MonoisotopicMass | 525.976914 |
| CLogP | 4.6675 |
| CLogS | -7.503 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 370.3 |
| Relative PSA | 0.26767 |
| PolarSurfaceArea | 112.8 |
| Druglikeness | 5.9683 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl]-N'-(3,4-dichlorophenyl)oxamide | 2 - N-[[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]methyl]-N'-(3,4-dichlorophenyl)oxamide
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