2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide
Formula:C13H14N2O3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide is a drug-like molecule.
| MolName | 2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide |
| MolecularFormula | C13H14N2O3 |
| Smiles | NC(CNc1ccc(/C=C(\CCO2)/C2=O)cc1)=O |
| InChI | InChI=1S/C13H14N2O3/c14-12(16)8-15-11-3-1-9(2-4-11)7-10-5-6-18-13(10)17/h1-4,7,15H,5-6,8H2,(H2,14,16) |
| InChIK | PFUDQOOBPPLLJY-UHFFFAOYSA-N |
| TotalMolweight | 246.265 |
| Molweight | 246.265 |
| MonoisotopicMass | 246.100443 |
| CLogP | 0.1062 |
| CLogS | -2.278 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 191.23 |
| Relative PSA | 0.32845 |
| PolarSurfaceArea | 81.42 |
| Druglikeness | 3.0606 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide | 2 - 2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide
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