2-nitro-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
Formula:C14H8N3O4Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-nitro-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C14H8N3O4Br3 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c(c(Br)c(c(Br)c1)O)c1Br)=O)=O |
| InChI | InChI=1S/C14H8Br3N3O4/c15-9-5-10(16)13(21)12(17)8(9)6-18-19-14(22)7-3-1-2-4-11(7)20(23)24/h1-6,21H,(H,19,22) |
| InChIK | OYDFJVNCPKVFTG-UHFFFAOYSA-N |
| TotalMolweight | 521.947 |
| Molweight | 521.947 |
| MonoisotopicMass | 518.80649 |
| CLogP | 4.1099 |
| CLogS | -6.387 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 272.9 |
| Relative PSA | 0.29143 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-nitro-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide | 2 - 2-nitro-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
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