[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C21H15N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C21H15N2O4F3 |
| Smiles | O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1OC(c1ccco1)=O |
| InChI | InChI=1S/C21H15F3N2O4/c22-21(23,24)16-4-1-3-15(11-16)12-19(27)26-25-13-14-6-8-17(9-7-14)30-20(28)18-5-2-10-29-18/h1-11,13H,12H2,(H,26,27) |
| InChIK | GMFMOEHUPAWTKY-UHFFFAOYSA-N |
| TotalMolweight | 416.354 |
| Molweight | 416.354 |
| MonoisotopicMass | 416.098392 |
| CLogP | 4.6672 |
| CLogS | -5.616 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.41 |
| Relative PSA | 0.23799 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | -2.8896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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