2-amino-N-[(Z)-benzylideneamino]-3,5-dibromobenzamide
Formula:C14H11N3OBr2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-N-[(Z)-benzylideneamino]-3,5-dibromobenzamide is a drug-like molecule.
| MolName | 2-amino-N-[(Z)-benzylideneamino]-3,5-dibromobenzamide |
| MolecularFormula | C14H11N3OBr2 |
| Smiles | Nc(c(C(N/N=C\c1ccccc1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C14H11Br2N3O/c15-10-6-11(13(17)12(16)7-10)14(20)19-18-8-9-4-2-1-3-5-9/h1-8H,17H2,(H,19,20) |
| InChIK | HVASGXZSXVDISK-UHFFFAOYSA-N |
| TotalMolweight | 397.069 |
| Molweight | 397.069 |
| MonoisotopicMass | 394.926884 |
| CLogP | 3.9747 |
| CLogS | -5.465 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 232.77 |
| Relative PSA | 0.2203 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.6005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-amino-N-[(Z)-benzylideneamino]-3,5-dibromobenzamide | 2 - 2-amino-N-[(Z)-benzylideneamino]-3,5-dibromobenzamide
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