2-[4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C23H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C23H18N2O4 |
| Smiles | OC(COc1ccc(/C=N\N=C(/C(c2ccccc2)=O)\c2ccccc2)cc1)=O |
| InChI | InChI=1S/C23H18N2O4/c26-21(27)16-29-20-13-11-17(12-14-20)15-24-25-22(18-7-3-1-4-8-18)23(28)19-9-5-2-6-10-19/h1-15H,16H2,(H,26,27) |
| InChIK | PAILDJZMQKEPEW-UHFFFAOYSA-N |
| TotalMolweight | 386.406 |
| Molweight | 386.406 |
| MonoisotopicMass | 386.126658 |
| CLogP | 4.3371 |
| CLogS | -5.601 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.12 |
| Relative PSA | 0.23586 |
| PolarSurfaceArea | 88.32 |
| Druglikeness | 2.6725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(Z)-(2-oxo-1,2-diphenylethylidene)hydrazinylidene]methyl]phenoxy]acetic acid
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