2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-cyanophenyl)acetamide
Formula:C16H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-cyanophenyl)acetamide is a drug-like molecule.
| MolName | 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-cyanophenyl)acetamide |
| MolecularFormula | C16H12N3O2Cl |
| Smiles | N#Cc(cccc1)c1NC(CO/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H12ClN3O2/c17-14-7-5-12(6-8-14)10-19-22-11-16(21)20-15-4-2-1-3-13(15)9-18/h1-8,10H,11H2,(H,20,21) |
| InChIK | CMUSZVDIBXDZFB-UHFFFAOYSA-N |
| TotalMolweight | 313.743 |
| Molweight | 313.743 |
| MonoisotopicMass | 313.061804 |
| CLogP | 3.6516 |
| CLogS | -5.102 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.88 |
| Relative PSA | 0.24032 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -2.1084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-cyanophenyl)acetamide | 2 - 2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-cyanophenyl)acetamide
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