2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
Formula:C19H13N2O2BrCl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:low
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H13N2O2BrCl2 |
| Smiles | O=C(COc(c1ccccc11)ccc1Br)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C19H13BrCl2N2O2/c20-15-8-9-18(13-5-2-1-4-12(13)15)26-11-19(25)24-23-10-14-16(21)6-3-7-17(14)22/h1-10H,11H2,(H,24,25) |
| InChIK | BQRBWILXWKDMHF-UHFFFAOYSA-N |
| TotalMolweight | 452.134 |
| Molweight | 452.134 |
| MonoisotopicMass | 449.953743 |
| CLogP | 5.9081 |
| CLogS | -7.413 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 294.82 |
| Relative PSA | 0.15606 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4378 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
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