4-[(Z)-[[2-oxo-2-(4-phenylmethoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-oxo-2-(4-phenylmethoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-oxo-2-(4-phenylmethoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H19N3O5 |
| Smiles | OC(c1ccc(/C=N\NC(C(Nc(cc2)ccc2OCc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H19N3O5/c27-21(22(28)26-24-14-16-6-8-18(9-7-16)23(29)30)25-19-10-12-20(13-11-19)31-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,25,27)(H,26,28)(H,29,30) |
| InChIK | MQELWOZLCUUNSQ-UHFFFAOYSA-N |
| TotalMolweight | 417.42 |
| Molweight | 417.42 |
| MonoisotopicMass | 417.132472 |
| CLogP | 2.9771 |
| CLogS | -4.879 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 323.82 |
| Relative PSA | 0.29847 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 3.2317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-oxo-2-(4-phenylmethoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-oxo-2-(4-phenylmethoxyanilino)acetyl]hydrazinylidene]methyl]benzoic acid
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