N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2,5-dichlorophenoxy)acetamide
Formula:C17H13N2O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2,5-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2,5-dichlorophenoxy)acetamide |
| MolecularFormula | C17H13N2O2BrCl2 |
| Smiles | O=C(COc(cc(cc1)Cl)c1Cl)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C17H13BrCl2N2O2/c18-13(8-12-4-2-1-3-5-12)10-21-22-17(23)11-24-16-9-14(19)6-7-15(16)20/h1-10H,11H2,(H,22,23) |
| InChIK | VPYUVBGEGRIDBM-UHFFFAOYSA-N |
| TotalMolweight | 428.112 |
| Molweight | 428.112 |
| MonoisotopicMass | 425.953743 |
| CLogP | 4.5994 |
| CLogS | -6.098 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.93 |
| Relative PSA | 0.16148 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -0.84787 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2,5-dichlorophenoxy)acetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2,5-dichlorophenoxy)acetamide
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