N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
Formula:C16H12N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide |
| MolecularFormula | C16H12N3O2Br |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C16H12BrN3O2/c17-14-7-5-12(6-8-14)10-19-20-16(21)11-22-15-4-2-1-3-13(15)9-18/h1-8,10H,11H2,(H,20,21) |
| InChIK | HVDIUIOBRLTFPA-UHFFFAOYSA-N |
| TotalMolweight | 358.194 |
| Molweight | 358.194 |
| MonoisotopicMass | 357.011288 |
| CLogP | 3.3373 |
| CLogS | -5.108 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.09 |
| Relative PSA | 0.23725 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -1.8734 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| 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 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
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