2-[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetic acid
Formula:C22H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C22H18N2O3 |
| Smiles | OC(COc1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)cc1)=O |
| InChI | InChI=1S/C22H18N2O3/c25-21(26)16-27-20-13-11-17(12-14-20)15-23-24-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,16H2,(H,25,26) |
| InChIK | JLQHVTQPKNMKOA-UHFFFAOYSA-N |
| TotalMolweight | 358.396 |
| Molweight | 358.396 |
| MonoisotopicMass | 358.131743 |
| CLogP | 5.0423 |
| CLogS | -5.701 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.37 |
| Relative PSA | 0.20515 |
| PolarSurfaceArea | 71.25 |
| Druglikeness | 1.6842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetic acid
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