N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide
Formula:C18H15N3OBrF3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide |
| MolecularFormula | C18H15N3OBrF3 |
| Smiles | O=C(CNc1cc(C(F)(F)F)ccc1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C18H15BrF3N3O/c19-15(9-13-5-2-1-3-6-13)11-24-25-17(26)12-23-16-8-4-7-14(10-16)18(20,21)22/h1-11,23H,12H2,(H,25,26) |
| InChIK | ORIODVFGPXVZSX-UHFFFAOYSA-N |
| TotalMolweight | 426.235 |
| Molweight | 426.235 |
| MonoisotopicMass | 425.035057 |
| CLogP | 3.9527 |
| CLogS | -5.446 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285.01 |
| Relative PSA | 0.16656 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -7.3006 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[3-(trifluoromethyl)anilino]acetamide
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