(Z)-1-[3-(1,3-dioxolan-2-yl)pyridin-2-yl]-N-phenylmethoxymethanimine
Formula:C16H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[3-(1,3-dioxolan-2-yl)pyridin-2-yl]-N-phenylmethoxymethanimine is a drug-like molecule.
| MolName | (Z)-1-[3-(1,3-dioxolan-2-yl)pyridin-2-yl]-N-phenylmethoxymethanimine |
| MolecularFormula | C16H16N2O3 |
| Smiles | C(c1ccccc1)O/N=C\c1c(C2OCCO2)cccn1 |
| InChI | InChI=1S/C16H16N2O3/c1-2-5-13(6-3-1)12-21-18-11-15-14(7-4-8-17-15)16-19-9-10-20-16/h1-8,11,16H,9-10,12H2 |
| InChIK | LLFWRPKMXCBPGE-UHFFFAOYSA-N |
| TotalMolweight | 284.314 |
| Molweight | 284.314 |
| MonoisotopicMass | 284.116093 |
| CLogP | 2.2445 |
| CLogS | -2.838 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.82 |
| Relative PSA | 0.23137 |
| PolarSurfaceArea | 52.94 |
| Druglikeness | -5.7523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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