(E)-4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoate
Formula:C17H13N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoate is a drug-like molecule.
| MolName | (E)-4-oxo-4-[2-(phenylcarbamoyl)anilino]but-2-enoate |
| MolecularFormula | C17H13N2O4 |
| Smiles | [O-]C(/C=C/C(Nc(cccc1)c1C(Nc1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C17H14N2O4/c20-15(10-11-16(21)22)19-14-9-5-4-8-13(14)17(23)18-12-6-2-1-3-7-12/h1-11H,(H,18,23)(H,19,20)(H,21,22)/p-1 |
| InChIK | COCPWSROQBFTBZ-UHFFFAOYSA-M |
| TotalMolweight | 309.3 |
| Molweight | 309.3 |
| MonoisotopicMass | 309.087533 |
| CLogP | -0.1849 |
| CLogS | -3.257 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.22 |
| Relative PSA | 0.31379 |
| PolarSurfaceArea | 98.33 |
| Druglikeness | -0.13705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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