(1Z)-N-anilino-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
Formula:C15H10N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1Z)-N-anilino-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-anilino-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H10N3OCl |
| Smiles | N#C/C(/C(c(cc1)ccc1Cl)=O)=N/Nc1ccccc1 |
| InChI | InChI=1S/C15H10ClN3O/c16-12-8-6-11(7-9-12)15(20)14(10-17)19-18-13-4-2-1-3-5-13/h1-9,18H |
| InChIK | ZKLSGTDLUKMBTP-UHFFFAOYSA-N |
| TotalMolweight | 283.717 |
| Molweight | 283.717 |
| MonoisotopicMass | 283.051239 |
| CLogP | 4.0318 |
| CLogS | -4.315 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.33 |
| Relative PSA | 0.22296 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.9241 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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