2-[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C23H20N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C23H20N2O5 |
| Smiles | OC(C(N/N=C\c(cc1)ccc1OCC(O)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H20N2O5/c26-21(27)16-30-20-13-11-17(12-14-20)15-24-25-22(28)23(29,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,29H,16H2,(H,25,28)(H,26,27) |
| InChIK | FIEOYOITLTVWPQ-UHFFFAOYSA-N |
| TotalMolweight | 404.421 |
| Molweight | 404.421 |
| MonoisotopicMass | 404.137223 |
| CLogP | 2.5419 |
| CLogS | -4.22 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 311.37 |
| Relative PSA | 0.27379 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 5.2874 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
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