N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Formula:C11H11N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C11H11N3O2 |
| Smiles | NC(C(N/N=C\C=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C11H11N3O2/c12-10(15)11(16)14-13-8-4-7-9-5-2-1-3-6-9/h1-8H,(H2,12,15)(H,14,16) |
| InChIK | SMXPXFWPPUYMKY-UHFFFAOYSA-N |
| TotalMolweight | 217.227 |
| Molweight | 217.227 |
| MonoisotopicMass | 217.085127 |
| CLogP | 0.102 |
| CLogS | -2.394 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 180 |
| Relative PSA | 0.35733 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 2.29 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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