N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C22H16N2O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C22H16N2O4Br2 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1Br)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H16Br2N2O4/c23-17-8-15(9-18(24)21(17)28-12-14-4-2-1-3-5-14)11-25-26-22(27)16-6-7-19-20(10-16)30-13-29-19/h1-11H,12-13H2,(H,26,27) |
| InChIK | RBFYMKGGUCKNMS-UHFFFAOYSA-N |
| TotalMolweight | 532.187 |
| Molweight | 532.187 |
| MonoisotopicMass | 529.94768 |
| CLogP | 6.1115 |
| CLogS | -7.441 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.03 |
| Relative PSA | 0.20123 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.1673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
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