N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-naphthalen-1-yloxamide
Formula:C20H14N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C20H14N3O4Br |
| Smiles | O=C(C(N/N=C\c(cc1OCOc1c1)c1Br)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C20H14BrN3O4/c21-15-9-18-17(27-11-28-18)8-13(15)10-22-24-20(26)19(25)23-16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2,(H,23,25)(H,24,26) |
| InChIK | PWUFKZSABUJQBB-UHFFFAOYSA-N |
| TotalMolweight | 440.252 |
| Molweight | 440.252 |
| MonoisotopicMass | 439.016768 |
| CLogP | 4.1749 |
| CLogS | -6.676 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 289.69 |
| Relative PSA | 0.27792 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 1.7802 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-naphthalen-1-yloxamide | 2 - N'-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N-naphthalen-1-yloxamide
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