(E)-N'-(2-phenylacetyl)but-2-enediamide
Formula:C12H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N'-(2-phenylacetyl)but-2-enediamide is a drug-like molecule.
| MolName | (E)-N'-(2-phenylacetyl)but-2-enediamide |
| MolecularFormula | C12H12N2O3 |
| Smiles | NC(/C=C/C(NC(Cc1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C12H12N2O3/c13-10(15)6-7-11(16)14-12(17)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,13,15)(H,14,16,17) |
| InChIK | RPPKWABVORYKHA-UHFFFAOYSA-N |
| TotalMolweight | 232.238 |
| Molweight | 232.238 |
| MonoisotopicMass | 232.084793 |
| CLogP | 0.1357 |
| CLogS | -1.731 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 186.75 |
| Relative PSA | 0.35261 |
| PolarSurfaceArea | 89.26 |
| Druglikeness | 0.096885 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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