2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
Formula:C16H14N3O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(2-bromophenyl)methylsulfanyl]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H14N3O3BrS |
| Smiles | [O-][N+](c1c(/C=N\NC(CSCc(cccc2)c2Br)=O)cccc1)=O |
| InChI | InChI=1S/C16H14BrN3O3S/c17-14-7-3-1-6-13(14)10-24-11-16(21)19-18-9-12-5-2-4-8-15(12)20(22)23/h1-9H,10-11H2,(H,19,21) |
| InChIK | FDOHVDKEQKEJTD-UHFFFAOYSA-N |
| TotalMolweight | 408.275 |
| Molweight | 408.275 |
| MonoisotopicMass | 406.993923 |
| CLogP | 3.1948 |
| CLogS | -5.801 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 274.3 |
| Relative PSA | 0.30594 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -2.254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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