2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C14H13N2O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H13N2O2BrS |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C14H13BrN2O2S/c15-12-4-1-3-11(7-12)9-20-10-14(18)17-16-8-13-5-2-6-19-13/h1-8H,9-10H2,(H,17,18) |
| InChIK | ZATJGDCVHVWOHU-UHFFFAOYSA-N |
| TotalMolweight | 353.239 |
| Molweight | 353.239 |
| MonoisotopicMass | 351.988109 |
| CLogP | 3.3051 |
| CLogS | -5.023 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.32 |
| Relative PSA | 0.28133 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | 2.7732 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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