2-[2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C20H19N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C20H19N3O7 |
| Smiles | OC(COc1c(/C=N\NC(CNC(c(cc2)cc3c2OCCO3)=O)=O)cccc1)=O |
| InChI | InChI=1S/C20H19N3O7/c24-18(23-22-10-14-3-1-2-4-15(14)30-12-19(25)26)11-21-20(27)13-5-6-16-17(9-13)29-8-7-28-16/h1-6,9-10H,7-8,11-12H2,(H,21,27)(H,23,24)(H,25,26) |
| InChIK | FTSYQBDWWHEQOF-UHFFFAOYSA-N |
| TotalMolweight | 413.385 |
| Molweight | 413.385 |
| MonoisotopicMass | 413.122302 |
| CLogP | 1.3241 |
| CLogS | -3.463 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 311.84 |
| Relative PSA | 0.37407 |
| PolarSurfaceArea | 135.55 |
| Druglikeness | -1.6232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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