4-[[2-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
Formula:C20H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[2-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[2-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C20H16N2O5 |
| Smiles | OC(c1ccc(COc2c(/C=N\NC(c3ccco3)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C20H16N2O5/c23-19(18-6-3-11-26-18)22-21-12-16-4-1-2-5-17(16)27-13-14-7-9-15(10-8-14)20(24)25/h1-12H,13H2,(H,22,23)(H,24,25) |
| InChIK | PUGDODRKUQFJJX-UHFFFAOYSA-N |
| TotalMolweight | 364.356 |
| Molweight | 364.356 |
| MonoisotopicMass | 364.105923 |
| CLogP | 3.2235 |
| CLogS | -4.757 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 284.3 |
| Relative PSA | 0.30341 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 4.1832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[2-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
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