3-bromo-N-[(Z)-[(2Z)-2-[(3-bromobenzoyl)hydrazinylidene]ethylidene]amino]benzamide
Formula:C16H12N4O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-bromo-N-[(Z)-[(2Z)-2-[(3-bromobenzoyl)hydrazinylidene]ethylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-[(2Z)-2-[(3-bromobenzoyl)hydrazinylidene]ethylidene]amino]benzamide |
| MolecularFormula | C16H12N4O2Br2 |
| Smiles | O=C(c1cc(Br)ccc1)N/N=C\C=N/NC(c1cccc(Br)c1)=O |
| InChI | InChI=1S/C16H12Br2N4O2/c17-13-5-1-3-11(9-13)15(23)21-19-7-8-20-22-16(24)12-4-2-6-14(18)10-12/h1-10H,(H,21,23)(H,22,24) |
| InChIK | XDLONYSSVNUOAK-UHFFFAOYSA-N |
| TotalMolweight | 452.105 |
| Molweight | 452.105 |
| MonoisotopicMass | 449.932698 |
| CLogP | 3.367 |
| CLogS | -5.63 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 278.22 |
| Relative PSA | 0.25886 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - 3-bromo-N-[(Z)-[(2Z)-2-[(3-bromobenzoyl)hydrazinylidene]ethylidene]amino]benzamide | 2 - 3-bromo-N-[(Z)-[(2Z)-2-[(3-bromobenzoyl)hydrazinylidene]ethylidene]amino]benzamide
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