N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-chlorophenoxy)acetamide
Formula:C17H14N2O2BrCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-chlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(4-chlorophenoxy)acetamide |
| MolecularFormula | C17H14N2O2BrCl |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C17H14BrClN2O2/c18-14(10-13-4-2-1-3-5-13)11-20-21-17(22)12-23-16-8-6-15(19)7-9-16/h1-11H,12H2,(H,21,22) |
| InChIK | VTYOKCFXLYEFFF-UHFFFAOYSA-N |
| TotalMolweight | 393.667 |
| Molweight | 393.667 |
| MonoisotopicMass | 391.992716 |
| CLogP | 3.9934 |
| CLogS | -5.362 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.51 |
| Relative PSA | 0.17072 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -0.84787 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| 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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