[(E)-[phenyl(pyridin-3-yl)methylidene]amino] 2-phenylacetate
Formula:C20H16N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[phenyl(pyridin-3-yl)methylidene]amino] 2-phenylacetate is a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-3-yl)methylidene]amino] 2-phenylacetate |
| MolecularFormula | C20H16N2O2 |
| Smiles | O=C(Cc1ccccc1)O/N=C(\c1ccccc1)/c1cnccc1 |
| InChI | InChI=1S/C20H16N2O2/c23-19(14-16-8-3-1-4-9-16)24-22-20(17-10-5-2-6-11-17)18-12-7-13-21-15-18/h1-13,15H,14H2 |
| InChIK | VGESRXQVSVEVRW-UHFFFAOYSA-N |
| TotalMolweight | 316.359 |
| Molweight | 316.359 |
| MonoisotopicMass | 316.121178 |
| CLogP | 4.112 |
| CLogS | -4.717 |
| H Acceptors | 4 |
| TotalSurfaceArea | 256.02 |
| Relative PSA | 0.1778 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.6947 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[phenyl(pyridin-3-yl)methylidene]amino] 2-phenylacetate | 2 - [(E)-[phenyl(pyridin-3-yl)methylidene]amino] 2-phenylacetate
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