N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide
Formula:C22H16N3O3Cl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide |
| MolecularFormula | C22H16N3O3Cl3 |
| Smiles | O=C(C(N/N=C\c1cc(OCc(cc2)ccc2Cl)ccc1)=O)Nc(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C22H16Cl3N3O3/c23-16-6-4-14(5-7-16)13-31-18-3-1-2-15(10-18)12-26-28-22(30)21(29)27-20-11-17(24)8-9-19(20)25/h1-12H,13H2,(H,27,29)(H,28,30) |
| InChIK | OHXRMJYHQNOZTK-UHFFFAOYSA-N |
| TotalMolweight | 476.746 |
| Molweight | 476.746 |
| MonoisotopicMass | 475.025723 |
| CLogP | 5.31 |
| CLogS | -7.074 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 345.98 |
| Relative PSA | 0.2038 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.4149 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide | 2 - N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dichlorophenyl)oxamide
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