4-[[4-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C23H17N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[4-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C23H17N2O4F3 |
| Smiles | OC(c1ccc(COc2ccc(/C=N\NC(c3cccc(C(F)(F)F)c3)=O)cc2)cc1)=O |
| InChI | InChI=1S/C23H17F3N2O4/c24-23(25,26)19-3-1-2-18(12-19)21(29)28-27-13-15-6-10-20(11-7-15)32-14-16-4-8-17(9-5-16)22(30)31/h1-13H,14H2,(H,28,29)(H,30,31) |
| InChIK | FMYBDHJVOAJWSA-UHFFFAOYSA-N |
| TotalMolweight | 442.392 |
| Molweight | 442.392 |
| MonoisotopicMass | 442.114042 |
| CLogP | 4.8831 |
| CLogS | -5.853 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.07 |
| Relative PSA | 0.22264 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | -3.3521 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[4-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off