N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
Formula:C17H16N2O3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide |
| MolecularFormula | C17H16N2O3Br2 |
| Smiles | Cc(cccc1)c1OCC(NN=Cc1cc(Br)cc(Br)c1OC)=O |
| InChI | InChI=1S/C17H16Br2N2O3/c1-11-5-3-4-6-15(11)24-10-16(22)21-20-9-12-7-13(18)8-14(19)17(12)23-2/h3-9H,10H2,1-2H3,(H,21,22) |
| InChIK | FDCVCALGLIADEW-UHFFFAOYSA-N |
| TotalMolweight | 456.133 |
| Molweight | 456.133 |
| MonoisotopicMass | 453.952765 |
| CLogP | 4.5008 |
| CLogS | -5.531 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.53 |
| Relative PSA | 0.19824 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.3506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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