4-[[2-[(Z)-(diphenylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
Formula:C27H22N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[[2-[(Z)-(diphenylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[[2-[(Z)-(diphenylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C27H22N2O3 |
| Smiles | OC(c1ccc(COc2c(/C=N\N(c3ccccc3)c3ccccc3)cccc2)cc1)=O |
| InChI | InChI=1S/C27H22N2O3/c30-27(31)22-17-15-21(16-18-22)20-32-26-14-8-7-9-23(26)19-28-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-19H,20H2,(H,30,31) |
| InChIK | XARPXDXOKALRAW-UHFFFAOYSA-N |
| TotalMolweight | 422.483 |
| Molweight | 422.483 |
| MonoisotopicMass | 422.163043 |
| CLogP | 6.062 |
| CLogS | -7.08 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.46 |
| Relative PSA | 0.15263 |
| PolarSurfaceArea | 62.13 |
| Druglikeness | 2.4259 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[2-[(Z)-(diphenylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-[(Z)-(diphenylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
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