N'-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
Formula:C27H19N4O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide is not a drug-like molecule.
| MolName | N'-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide |
| MolecularFormula | C27H19N4O6Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1Oc1ccc(/C=N\NC(C(Nc(cc2)ccc2Oc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C27H19ClN4O6/c28-24-16-20(32(35)36)10-15-25(24)38-23-11-6-18(7-12-23)17-29-31-27(34)26(33)30-19-8-13-22(14-9-19)37-21-4-2-1-3-5-21/h1-17H,(H,30,33)(H,31,34) |
| InChIK | WZBLQRROGXJOHJ-UHFFFAOYSA-N |
| TotalMolweight | 530.923 |
| Molweight | 530.923 |
| MonoisotopicMass | 530.099313 |
| CLogP | 4.6195 |
| CLogS | -9.315 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 394.81 |
| Relative PSA | 0.28097 |
| PolarSurfaceArea | 134.84 |
| Druglikeness | -1.4573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide | 2 - N'-[(Z)-[4-(2-chloro-4-nitrophenoxy)phenyl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
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