[4-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
Formula:C19H14N5O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C19H14N5O3F3 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cc1)ccc1OC(c1cnccc1)=O |
| InChI | InChI=1S/C19H14F3N5O3/c20-19(21,22)16-7-9-27(26-16)12-17(28)25-24-10-13-3-5-15(6-4-13)30-18(29)14-2-1-8-23-11-14/h1-11H,12H2,(H,25,28) |
| InChIK | ZQRQEBQGBWRGJJ-UHFFFAOYSA-N |
| TotalMolweight | 417.346 |
| Molweight | 417.346 |
| MonoisotopicMass | 417.104874 |
| CLogP | 2.0904 |
| CLogS | -3.432 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 304.44 |
| Relative PSA | 0.2886 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | -5.7339 |
| 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 | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - [4-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
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