N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C15H11N3O5Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C15H11N3O5Br2 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(c(Br)c1)cc(O)c1Br)=O)=O |
| InChI | InChI=1S/C15H11Br2N3O5/c16-10-6-11(17)13(21)5-9(10)7-18-19-15(22)8-25-14-4-2-1-3-12(14)20(23)24/h1-7,21H,8H2,(H,19,22) |
| InChIK | PXTOTLPRSWUURC-UHFFFAOYSA-N |
| TotalMolweight | 473.076 |
| Molweight | 473.076 |
| MonoisotopicMass | 470.906544 |
| CLogP | 2.9596 |
| CLogS | -5.333 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 278.03 |
| Relative PSA | 0.32202 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -2.7238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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