2-(4-chlorophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
Formula:C17H15N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide |
| MolecularFormula | C17H15N2O4Cl |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H15ClN2O4/c18-13-2-4-14(5-3-13)24-11-17(21)20-19-10-12-1-6-15-16(9-12)23-8-7-22-15/h1-6,9-10H,7-8,11H2,(H,20,21) |
| InChIK | IKMHZACELHTCHM-UHFFFAOYSA-N |
| TotalMolweight | 346.769 |
| Molweight | 346.769 |
| MonoisotopicMass | 346.072035 |
| CLogP | 3.3613 |
| CLogS | -4.419 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.19 |
| Relative PSA | 0.2537 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -2.6522 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-chlorophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off