2-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzamide
Formula:C15H10N2O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C15H10N2O3Br2 |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C15H10Br2N2O3/c16-11-4-2-1-3-10(11)15(20)19-18-7-9-5-13-14(6-12(9)17)22-8-21-13/h1-7H,8H2,(H,19,20) |
| InChIK | MMXMARAGLOIBDK-UHFFFAOYSA-N |
| TotalMolweight | 426.063 |
| Molweight | 426.063 |
| MonoisotopicMass | 423.905815 |
| CLogP | 4.7634 |
| CLogS | -6.1 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.51 |
| Relative PSA | 0.22907 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - 2-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzamide
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