| MolName | [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2-chlorophenoxy)acetate |
| MolecularFormula | C16H14N2O3Cl2 |
| Smiles | N/C(/Cc(cc1)ccc1Cl)=N/OC(COc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C16H14Cl2N2O3/c17-12-7-5-11(6-8-12)9-15(19)20-23-16(21)10-22-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H2,19,20) |
| InChIK | AXIXRPKACAXTLS-UHFFFAOYSA-N |
| TotalMolweight | 353.204 |
| Molweight | 353.204 |
| MonoisotopicMass | 352.038147 |
| CLogP | 3.8571 |
| CLogS | -4.753 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.62 |
| Relative PSA | 0.22953 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -2.5918 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2-chlorophenoxy)acetate | 2 - [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(2-chlorophenoxy)acetate