2-[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C18H16N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C18H16N2O6 |
| Smiles | OC(COc1c(/C=N\NC(c(cc2)cc3c2OCCO3)=O)cccc1)=O |
| InChI | InChI=1S/C18H16N2O6/c21-17(22)11-26-14-4-2-1-3-13(14)10-19-20-18(23)12-5-6-15-16(9-12)25-8-7-24-15/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,22) |
| InChIK | SNGGLTVQSLOMHW-UHFFFAOYSA-N |
| TotalMolweight | 356.333 |
| Molweight | 356.333 |
| MonoisotopicMass | 356.100838 |
| CLogP | 2.2404 |
| CLogS | -3.696 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 268.87 |
| Relative PSA | 0.34273 |
| PolarSurfaceArea | 106.45 |
| Druglikeness | -2.683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(2,3-dihydro-1,4-benzodioxine-6-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off