N-[(Z)-(2-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C13H10N4OF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C13H10N4OF4 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C13H10F4N4O/c14-10-4-2-1-3-9(10)7-18-19-12(22)8-21-6-5-11(20-21)13(15,16)17/h1-7H,8H2,(H,19,22) |
| InChIK | DKCJJBXWRSYEBG-UHFFFAOYSA-N |
| TotalMolweight | 314.241 |
| Molweight | 314.241 |
| MonoisotopicMass | 314.079073 |
| CLogP | 1.7616 |
| CLogS | -3.071 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.52 |
| Relative PSA | 0.23984 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -5.4088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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