4-[[2-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C23H19N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[2-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[2-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C23H19N2O5Cl |
| Smiles | OC(c1ccc(COc2c(/C=N\NC(COc(cccc3)c3Cl)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C23H19ClN2O5/c24-19-6-2-4-8-21(19)31-15-22(27)26-25-13-18-5-1-3-7-20(18)30-14-16-9-11-17(12-10-16)23(28)29/h1-13H,14-15H2,(H,26,27)(H,28,29) |
| InChIK | POAJVERODXVJAX-UHFFFAOYSA-N |
| TotalMolweight | 438.866 |
| Molweight | 438.866 |
| MonoisotopicMass | 438.09825 |
| CLogP | 4.2157 |
| CLogS | -5.591 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 333.79 |
| Relative PSA | 0.24611 |
| PolarSurfaceArea | 97.22 |
| Druglikeness | 4.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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