2-[2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C18H15N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C18H15N3O4F3 |
| Smiles | [O-]C(COc1c(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)cccc1)=O |
| InChI | InChI=1S/C18H16F3N3O4/c19-18(20,21)13-5-3-6-14(8-13)22-10-16(25)24-23-9-12-4-1-2-7-15(12)28-11-17(26)27/h1-9,22H,10-11H2,(H,24,25)(H,26,27)/p-1 |
| InChIK | RBDCUGCCMKXTMX-UHFFFAOYSA-M |
| TotalMolweight | 394.328 |
| Molweight | 394.328 |
| MonoisotopicMass | 394.101466 |
| CLogP | 0.3258 |
| CLogS | -4.114 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 290.71 |
| Relative PSA | 0.29167 |
| PolarSurfaceArea | 102.85 |
| Druglikeness | -2.2897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
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