N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
Formula:C14H10N4OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide |
| MolecularFormula | C14H10N4OF6 |
| Smiles | O=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C14H10F6N4O/c15-13(16,17)10-3-1-2-9(6-10)7-21-22-12(25)8-24-5-4-11(23-24)14(18,19)20/h1-7H,8H2,(H,22,25) |
| InChIK | YFGIIWVZSGZALZ-UHFFFAOYSA-N |
| TotalMolweight | 364.248 |
| Molweight | 364.248 |
| MonoisotopicMass | 364.075879 |
| CLogP | 2.5091 |
| CLogS | -3.535 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.63 |
| Relative PSA | 0.21746 |
| 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 | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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