(E)-4-(4-bromo-2-chloroanilino)-1,1,1-trifluorobut-3-en-2-one
Formula:C10H6NOBrClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-bromo-2-chloroanilino)-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.
| MolName | (E)-4-(4-bromo-2-chloroanilino)-1,1,1-trifluorobut-3-en-2-one |
| MolecularFormula | C10H6NOBrClF3 |
| Smiles | O=C(C(F)(F)F)/C=C/Nc(ccc(Br)c1)c1Cl |
| InChI | InChI=1S/C10H6BrClF3NO/c11-6-1-2-8(7(12)5-6)16-4-3-9(17)10(13,14)15/h1-5,16H |
| InChIK | VWCWPGBCSNSLIO-UHFFFAOYSA-N |
| TotalMolweight | 328.515 |
| Molweight | 328.515 |
| MonoisotopicMass | 326.927336 |
| CLogP | 3.1378 |
| CLogS | -4.702 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 192.48 |
| Relative PSA | 0.12729 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -34.392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-4-(4-bromo-2-chloroanilino)-1,1,1-trifluorobut-3-en-2-one | 2 - (E)-4-(4-bromo-2-chloroanilino)-1,1,1-trifluorobut-3-en-2-one
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