N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C19H17N4O5Br3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C19H17N4O5Br3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(COc(c(Br)cc(Br)c2)c2Br)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H17Br3N4O5/c20-13-8-15(21)19(16(22)9-13)31-11-18(27)24-23-10-12-7-14(26(28)29)1-2-17(12)25-3-5-30-6-4-25/h1-2,7-10H,3-6,11H2,(H,24,27) |
| InChIK | LTPQSNBFAQHIJO-UHFFFAOYSA-N |
| TotalMolweight | 621.079 |
| Molweight | 621.079 |
| MonoisotopicMass | 617.874904 |
| CLogP | 3.6995 |
| CLogS | -6.566 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 352.15 |
| Relative PSA | 0.25552 |
| PolarSurfaceArea | 108.98 |
| Druglikeness | -1.6274 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide | 2 - N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
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