N-[(Z)-(4-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Formula:C18H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenoxyphenyl)methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
| MolecularFormula | C18H16N2O4 |
| Smiles | O=C(C1=COCCO1)N/N=C\c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C18H16N2O4/c21-18(17-13-22-10-11-23-17)20-19-12-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,20,21) |
| InChIK | GJEUJBBZGZLVDI-UHFFFAOYSA-N |
| TotalMolweight | 324.335 |
| Molweight | 324.335 |
| MonoisotopicMass | 324.111008 |
| CLogP | 2.3097 |
| CLogS | -5.168 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.72 |
| Relative PSA | 0.25813 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -2.7823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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