(E)-4-(4-bromo-2-fluoroanilino)-4-oxobut-2-enoate
Formula:C10H6NO3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(4-bromo-2-fluoroanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(4-bromo-2-fluoroanilino)-4-oxobut-2-enoate |
| MolecularFormula | C10H6NO3BrF |
| Smiles | [O-]C(/C=C/C(Nc(ccc(Br)c1)c1F)=O)=O |
| InChI | InChI=1S/C10H7BrFNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/p-1 |
| InChIK | BBCZEQALVKLLPK-UHFFFAOYSA-M |
| TotalMolweight | 287.064 |
| Molweight | 287.064 |
| MonoisotopicMass | 285.951508 |
| CLogP | -0.5064 |
| CLogS | -2.893 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 179.23 |
| Relative PSA | 0.28913 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -3.2671 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-4-(4-bromo-2-fluoroanilino)-4-oxobut-2-enoate | 2 - (E)-4-(4-bromo-2-fluoroanilino)-4-oxobut-2-enoate
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