5-bromo-N-[(Z)-(3,5-dinitrophenyl)methylideneamino]-2-hydroxybenzamide
Formula:C14H9N4O6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(3,5-dinitrophenyl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(3,5-dinitrophenyl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C14H9N4O6Br |
| Smiles | [O-][N+](c1cc(/C=N\NC(c(cc(cc2)Br)c2O)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C14H9BrN4O6/c15-9-1-2-13(20)12(5-9)14(21)17-16-7-8-3-10(18(22)23)6-11(4-8)19(24)25/h1-7,20H,(H,17,21) |
| InChIK | JJLDILSYHJQRRL-UHFFFAOYSA-N |
| TotalMolweight | 409.151 |
| Molweight | 409.151 |
| MonoisotopicMass | 407.970547 |
| CLogP | 1.7379 |
| CLogS | -5.179 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 259.31 |
| Relative PSA | 0.42401 |
| PolarSurfaceArea | 153.33 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 5-bromo-N-[(Z)-(3,5-dinitrophenyl)methylideneamino]-2-hydroxybenzamide | 2 - 5-bromo-N-[(Z)-(3,5-dinitrophenyl)methylideneamino]-2-hydroxybenzamide
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