2-(4-chlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H15N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H15N2O2Cl |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H15ClN2O2/c18-15-8-10-16(11-9-15)22-13-17(21)20-19-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21) |
| InChIK | VVJIFNQVOHVIQH-UHFFFAOYSA-N |
| TotalMolweight | 314.771 |
| Molweight | 314.771 |
| MonoisotopicMass | 314.082205 |
| CLogP | 3.4008 |
| CLogS | -4.529 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.67 |
| Relative PSA | 0.1821 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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