N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
Formula:C21H14N3O4BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C21H14N3O4BrCl2 |
| Smiles | [O-][N+](c1cccc(C(N/N=C\c(cc2)cc(Br)c2OCc(ccc(Cl)c2)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C21H14BrCl2N3O4/c22-18-8-13(4-7-20(18)31-12-15-5-6-16(23)10-19(15)24)11-25-26-21(28)14-2-1-3-17(9-14)27(29)30/h1-11H,12H2,(H,26,28) |
| InChIK | LIYNTKDXOXDTOR-UHFFFAOYSA-N |
| TotalMolweight | 523.169 |
| Molweight | 523.169 |
| MonoisotopicMass | 520.954472 |
| CLogP | 5.5653 |
| CLogS | -7.828 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 343.65 |
| Relative PSA | 0.22241 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.8622 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide | 2 - N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
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