(1E)-2-(4-bromophenyl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide
Formula:C15H9N3OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-(4-bromophenyl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-(4-bromophenyl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H9N3OBrCl |
| Smiles | N#C/C(/C(c(cc1)ccc1Br)=O)=N\Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C15H9BrClN3O/c16-11-6-4-10(5-7-11)15(21)14(9-18)20-19-13-3-1-2-12(17)8-13/h1-8,19H |
| InChIK | OAUOMDVOWDMIHT-UHFFFAOYSA-N |
| TotalMolweight | 362.613 |
| Molweight | 362.613 |
| MonoisotopicMass | 360.96175 |
| CLogP | 4.757 |
| CLogS | -5.149 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.96 |
| Relative PSA | 0.20572 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -3.7141 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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