N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C22H17N3O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C22H17N3O4BrCl |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(cc2)cc(Br)c2OCc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C22H17BrClN3O4/c23-20-11-17(5-10-21(20)31-14-16-1-6-18(24)7-2-16)13-25-26-22(28)12-15-3-8-19(9-4-15)27(29)30/h1-11,13H,12,14H2,(H,26,28) |
| InChIK | TZDZQLQZSXWHQT-UHFFFAOYSA-N |
| TotalMolweight | 502.751 |
| Molweight | 502.751 |
| MonoisotopicMass | 501.009095 |
| CLogP | 4.9574 |
| CLogS | -7.057 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 341.99 |
| Relative PSA | 0.22349 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.8278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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