[(Z)-(4-fluorophenyl)methylideneamino] 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
Formula:C18H10N3O2ClF4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(4-fluorophenyl)methylideneamino] 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate is a drug-like molecule.
| MolName | [(Z)-(4-fluorophenyl)methylideneamino] 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate |
| MolecularFormula | C18H10N3O2ClF4 |
| Smiles | O=C(c1c(C(F)(F)F)n(-c(cc2)ccc2Cl)nc1)O/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C18H10ClF4N3O2/c19-12-3-7-14(8-4-12)26-16(18(21,22)23)15(10-24-26)17(27)28-25-9-11-1-5-13(20)6-2-11/h1-10H |
| InChIK | FTNKALUROYCKDC-UHFFFAOYSA-N |
| TotalMolweight | 411.741 |
| Molweight | 411.741 |
| MonoisotopicMass | 411.039766 |
| CLogP | 4.696 |
| CLogS | -5.358 |
| H Acceptors | 5 |
| TotalSurfaceArea | 284.48 |
| Relative PSA | 0.18416 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | -6.174 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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