(E)-4-(2-fluoroanilino)-4-oxobut-2-enoate
Formula:C10H7NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(2-fluoroanilino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(2-fluoroanilino)-4-oxobut-2-enoate |
| MolecularFormula | C10H7NO3F |
| Smiles | [O-]C(/C=C/C(Nc(cccc1)c1F)=O)=O |
| InChI | InChI=1S/C10H8FNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/p-1 |
| InChIK | NVKBZXHSDUVZDI-UHFFFAOYSA-M |
| TotalMolweight | 208.168 |
| Molweight | 208.168 |
| MonoisotopicMass | 208.040997 |
| CLogP | -1.2316 |
| CLogS | -2.059 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 160.6 |
| Relative PSA | 0.32267 |
| PolarSurfaceArea | 69.23 |
| Druglikeness | -1.4771 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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