3-bromo-N-[(Z)-[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
Formula:C22H16N4O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide |
| MolecularFormula | C22H16N4O2Br2 |
| Smiles | O=C(c1cc(Br)ccc1)N/N=C\c1ccc(/C=N\NC(c2cccc(Br)c2)=O)cc1 |
| InChI | InChI=1S/C22H16Br2N4O2/c23-19-5-1-3-17(11-19)21(29)27-25-13-15-7-9-16(10-8-15)14-26-28-22(30)18-4-2-6-20(24)12-18/h1-14H,(H,27,29)(H,28,30) |
| InChIK | GONMLTMIZSIGHX-UHFFFAOYSA-N |
| TotalMolweight | 528.203 |
| Molweight | 528.203 |
| MonoisotopicMass | 525.963998 |
| CLogP | 6.194 |
| CLogS | -7.494 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 337.98 |
| Relative PSA | 0.21309 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - 3-bromo-N-[(Z)-[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide | 2 - 3-bromo-N-[(Z)-[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
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