N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C14H10N2OBrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C14H10N2OBrF3S |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C14H10BrF3N2OS/c15-12-5-4-11(22-12)8-19-20-13(21)7-9-2-1-3-10(6-9)14(16,17)18/h1-6,8H,7H2,(H,20,21) |
| InChIK | YFIWSMOQGIVZCE-UHFFFAOYSA-N |
| TotalMolweight | 391.21 |
| Molweight | 391.21 |
| MonoisotopicMass | 389.964928 |
| CLogP | 4.8445 |
| CLogS | -5.325 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.78 |
| Relative PSA | 0.23029 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | -4.9449 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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