2-(4-bromophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H14N2O2Br2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-(4-bromophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H14N2O2Br2 |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C17H14Br2N2O2/c18-14-6-8-16(9-7-14)23-12-17(22)21-20-11-15(19)10-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22) |
| InChIK | JXBGCWAEQBIROD-UHFFFAOYSA-N |
| TotalMolweight | 438.118 |
| Molweight | 438.118 |
| MonoisotopicMass | 435.9422 |
| CLogP | 4.1126 |
| CLogS | -5.46 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.72 |
| Relative PSA | 0.16871 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -0.88657 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-bromophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-(4-bromophenoxy)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
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