[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Formula:C18H16N3O7FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is a drug-like molecule.
| MolName | [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate |
| MolecularFormula | C18H16N3O7FS |
| Smiles | [O-][N+](c(cc(cc1)F)c1NC(COC(CNS(/C=C/c1ccccc1)(=O)=O)=O)=O)=O |
| InChI | InChI=1S/C18H16FN3O7S/c19-14-6-7-15(16(10-14)22(25)26)21-17(23)12-29-18(24)11-20-30(27,28)9-8-13-4-2-1-3-5-13/h1-10,20H,11-12H2,(H,21,23) |
| InChIK | ZPILXTHUKMBTTO-UHFFFAOYSA-N |
| TotalMolweight | 437.403 |
| Molweight | 437.403 |
| MonoisotopicMass | 437.0693 |
| CLogP | 0.8404 |
| CLogS | -4.55 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 314.06 |
| Relative PSA | 0.37572 |
| PolarSurfaceArea | 155.77 |
| Druglikeness | -7.3967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate | 2 - [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
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