N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-chloro-5-iodobenzamide
Formula:C15H9N2O3BrClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-chloro-5-iodobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-chloro-5-iodobenzamide |
| MolecularFormula | C15H9N2O3BrClI |
| Smiles | O=C(c(cc(cc1)I)c1Cl)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C15H9BrClIN2O3/c16-11-5-14-13(22-7-23-14)3-8(11)6-19-20-15(21)10-4-9(18)1-2-12(10)17/h1-6H,7H2,(H,20,21) |
| InChIK | GQNPSMLJKOUDLJ-UHFFFAOYSA-N |
| TotalMolweight | 507.504 |
| Molweight | 507.504 |
| MonoisotopicMass | 505.852979 |
| CLogP | 5.0813 |
| CLogS | -7.018 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.58 |
| Relative PSA | 0.20932 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-chloro-5-iodobenzamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-chloro-5-iodobenzamide
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