(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-morpholin-4-ylmethanimine
Formula:C13H16N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-morpholin-4-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-morpholin-4-ylmethanimine |
| MolecularFormula | C13H16N2O3 |
| Smiles | C(COCC1)N1/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C13H16N2O3/c1-2-12-13(18-8-7-17-12)9-11(1)10-14-15-3-5-16-6-4-15/h1-2,9-10H,3-8H2 |
| InChIK | BJAHVBOGDKZSPC-UHFFFAOYSA-N |
| TotalMolweight | 248.281 |
| Molweight | 248.281 |
| MonoisotopicMass | 248.116093 |
| CLogP | 1.4703 |
| CLogS | -2.013 |
| H Acceptors | 5 |
| TotalSurfaceArea | 193.88 |
| Relative PSA | 0.23241 |
| PolarSurfaceArea | 43.29 |
| Druglikeness | -4.0144 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
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