2-[4-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H16N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H16N3O4F3 |
| Smiles | OC(COc1ccc(/C=N\NC(CNc2cccc(C(F)(F)F)c2)=O)cc1)=O |
| InChI | InChI=1S/C18H16F3N3O4/c19-18(20,21)13-2-1-3-14(8-13)22-10-16(25)24-23-9-12-4-6-15(7-5-12)28-11-17(26)27/h1-9,22H,10-11H2,(H,24,25)(H,26,27) |
| InChIK | XOPXNIRIBZVWAC-UHFFFAOYSA-N |
| TotalMolweight | 395.336 |
| Molweight | 395.336 |
| MonoisotopicMass | 395.109291 |
| CLogP | 2.4018 |
| CLogS | -4.114 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 289.53 |
| Relative PSA | 0.28878 |
| PolarSurfaceArea | 100.02 |
| Druglikeness | -2.3206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| 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 | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-[3-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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