[(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
Formula:C18H9N3O2Cl2F4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(2-chloro-6-fluorophenyl)methylideneamino] 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate |
| MolecularFormula | C18H9N3O2Cl2F4 |
| Smiles | O=C(c1c(C(F)(F)F)n(-c(cc2)ccc2Cl)nc1)O/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C18H9Cl2F4N3O2/c19-10-4-6-11(7-5-10)27-16(18(22,23)24)13(8-25-27)17(28)29-26-9-12-14(20)2-1-3-15(12)21/h1-9H |
| InChIK | COJVDNDPUVWPDH-UHFFFAOYSA-N |
| TotalMolweight | 446.186 |
| Molweight | 446.186 |
| MonoisotopicMass | 445.000793 |
| CLogP | 5.302 |
| CLogS | -6.094 |
| H Acceptors | 5 |
| TotalSurfaceArea | 299.9 |
| Relative PSA | 0.17469 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | -6.174 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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