(1E)-N-anilino-2-oxo-2-phenylethanimidoyl cyanide
Formula:C15H11N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1E)-N-anilino-2-oxo-2-phenylethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-anilino-2-oxo-2-phenylethanimidoyl cyanide |
| MolecularFormula | C15H11N3O |
| Smiles | N#C/C(/C(c1ccccc1)=O)=N\Nc1ccccc1 |
| InChI | InChI=1S/C15H11N3O/c16-11-14(15(19)12-7-3-1-4-8-12)18-17-13-9-5-2-6-10-13/h1-10,17H |
| InChIK | BSUQPKCNPVQHEV-UHFFFAOYSA-N |
| TotalMolweight | 249.272 |
| Molweight | 249.272 |
| MonoisotopicMass | 249.090212 |
| CLogP | 3.4258 |
| CLogS | -3.579 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.91 |
| Relative PSA | 0.23957 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.9639 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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