N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]-4-fluorobenzamide
Formula:C12H8N2OBrFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]-4-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]-4-fluorobenzamide |
| MolecularFormula | C12H8N2OBrFS |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c1cscc1Br |
| InChI | InChI=1S/C12H8BrFN2OS/c13-11-7-18-6-9(11)5-15-16-12(17)8-1-3-10(14)4-2-8/h1-7H,(H,16,17) |
| InChIK | MSMVRINKODIJKL-UHFFFAOYSA-N |
| TotalMolweight | 327.177 |
| Molweight | 327.177 |
| MonoisotopicMass | 325.952472 |
| CLogP | 3.812 |
| CLogS | -4.769 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 207.91 |
| Relative PSA | 0.27113 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | -1.7933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]-4-fluorobenzamide | 2 - N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]-4-fluorobenzamide
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