2-[4-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H13N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H13N2O5Cl |
| Smiles | OC(COc1ccc(/C=N\NC(c2cc(cc(cc3)Cl)c3o2)=O)cc1)=O |
| InChI | InChI=1S/C18H13ClN2O5/c19-13-3-6-15-12(7-13)8-16(26-15)18(24)21-20-9-11-1-4-14(5-2-11)25-10-17(22)23/h1-9H,10H2,(H,21,24)(H,22,23) |
| InChIK | QYMXLAWNQJBLHG-UHFFFAOYSA-N |
| TotalMolweight | 372.763 |
| Molweight | 372.763 |
| MonoisotopicMass | 372.0513 |
| CLogP | 3.3732 |
| CLogS | -5.433 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 274.56 |
| Relative PSA | 0.31418 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 4.8158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
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