3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid
Formula:C24H17N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid |
| MolecularFormula | C24H17N2O5Cl |
| Smiles | OC(c1cccc(COc(ccc(/C=N\NC(c2cc(cccc3)c3o2)=O)c2)c2Cl)c1)=O |
| InChI | InChI=1S/C24H17ClN2O5/c25-19-11-15(8-9-21(19)31-14-16-4-3-6-18(10-16)24(29)30)13-26-27-23(28)22-12-17-5-1-2-7-20(17)32-22/h1-13H,14H2,(H,27,28)(H,29,30) |
| InChIK | IDQACDQGNMAAIG-UHFFFAOYSA-N |
| TotalMolweight | 448.861 |
| Molweight | 448.861 |
| MonoisotopicMass | 448.0826 |
| CLogP | 5.1464 |
| CLogS | -6.994 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 334.32 |
| Relative PSA | 0.25802 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 4.4531 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid | 2 - 3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-chlorophenoxy]methyl]benzoic acid
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