N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C13H8N2OBrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C13H8N2OBrF3S |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C13H8BrF3N2OS/c14-10-5-11(21-7-10)6-18-19-12(20)8-2-1-3-9(4-8)13(15,16)17/h1-7H,(H,19,20) |
| InChIK | IRQQKFNMNDTBFA-UHFFFAOYSA-N |
| TotalMolweight | 377.184 |
| Molweight | 377.184 |
| MonoisotopicMass | 375.949278 |
| CLogP | 4.6417 |
| CLogS | -5.343 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.02 |
| Relative PSA | 0.244 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | -7.0286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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