[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
Formula:C20H15N2O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate is a drug-like molecule.
| MolName | [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate |
| MolecularFormula | C20H15N2O3Cl |
| Smiles | O=C(COc(cc1)ccc1Cl)O/N=C(/c1ccccc1)\c1ccncc1 |
| InChI | InChI=1S/C20H15ClN2O3/c21-17-6-8-18(9-7-17)25-14-19(24)26-23-20(15-4-2-1-3-5-15)16-10-12-22-13-11-16/h1-13H,14H2 |
| InChIK | XGGAYAIYDNAIIP-UHFFFAOYSA-N |
| TotalMolweight | 366.803 |
| Molweight | 366.803 |
| MonoisotopicMass | 366.07712 |
| CLogP | 4.2948 |
| CLogS | -5.268 |
| H Acceptors | 5 |
| TotalSurfaceArea | 281.44 |
| Relative PSA | 0.19727 |
| PolarSurfaceArea | 60.78 |
| Druglikeness | -2.4259 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate | 2 - [(Z)-[phenyl(pyridin-4-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
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