4-[[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C24H19N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C24H19N2O4F3 |
| Smiles | OC(c1ccc(COc2ccc(/C=N\NC(Cc3cccc(C(F)(F)F)c3)=O)cc2)cc1)=O |
| InChI | InChI=1S/C24H19F3N2O4/c25-24(26,27)20-3-1-2-18(12-20)13-22(30)29-28-14-16-6-10-21(11-7-16)33-15-17-4-8-19(9-5-17)23(31)32/h1-12,14H,13,15H2,(H,29,30)(H,31,32) |
| InChIK | QSVYGKJELNTZAH-UHFFFAOYSA-N |
| TotalMolweight | 456.419 |
| Molweight | 456.419 |
| MonoisotopicMass | 456.129692 |
| CLogP | 4.8812 |
| CLogS | -5.818 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 337.83 |
| Relative PSA | 0.21357 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | -3.313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
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