[(Z)-(2-chlorophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
Formula:C18H11N3O2ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(2-chlorophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate is a drug-like molecule.
| MolName | [(Z)-(2-chlorophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate |
| MolecularFormula | C18H11N3O2ClF3 |
| Smiles | O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)O/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H11ClF3N3O2/c19-15-9-5-4-6-12(15)10-24-27-17(26)14-11-23-25(16(14)18(20,21)22)13-7-2-1-3-8-13/h1-11H |
| InChIK | GWEILEJZICKOPQ-UHFFFAOYSA-N |
| TotalMolweight | 393.751 |
| Molweight | 393.751 |
| MonoisotopicMass | 393.049188 |
| CLogP | 4.5952 |
| CLogS | -5.044 |
| H Acceptors | 5 |
| TotalSurfaceArea | 278.13 |
| Relative PSA | 0.18837 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | -6.174 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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