2-[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C18H14N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C18H14N2O5 |
| Smiles | OC(COc1ccc(/C=N\NC(c2cc(cccc3)c3o2)=O)cc1)=O |
| InChI | InChI=1S/C18H14N2O5/c21-17(22)11-24-14-7-5-12(6-8-14)10-19-20-18(23)16-9-13-3-1-2-4-15(13)25-16/h1-10H,11H2,(H,20,23)(H,21,22) |
| InChIK | USZKPPLPOUBCIZ-UHFFFAOYSA-N |
| TotalMolweight | 338.318 |
| Molweight | 338.318 |
| MonoisotopicMass | 338.090273 |
| CLogP | 2.7672 |
| CLogS | -4.697 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 259.14 |
| Relative PSA | 0.33287 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 4.7586 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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