N-(4-fluorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Formula:C17H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-fluorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N-(4-fluorophenyl)-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C17H14N3O2F |
| Smiles | O=C(C(N/N=C\C=C\c1ccccc1)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C17H14FN3O2/c18-14-8-10-15(11-9-14)20-16(22)17(23)21-19-12-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,22)(H,21,23) |
| InChIK | SIBSMDQXAQLKRR-UHFFFAOYSA-N |
| TotalMolweight | 311.315 |
| Molweight | 311.315 |
| MonoisotopicMass | 311.107005 |
| CLogP | 2.263 |
| CLogS | -4.131 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.05 |
| Relative PSA | 0.24296 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.4152 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73913 |
| 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 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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