N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
Formula:C15H12N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide |
| MolecularFormula | C15H12N2OBrClS |
| Smiles | O=C(CSc(cc1)ccc1Cl)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C15H12BrClN2OS/c16-14-4-2-1-3-11(14)9-18-19-15(20)10-21-13-7-5-12(17)6-8-13/h1-9H,10H2,(H,19,20) |
| InChIK | QGXRTMXXRRAWSF-UHFFFAOYSA-N |
| TotalMolweight | 383.696 |
| Molweight | 383.696 |
| MonoisotopicMass | 381.954221 |
| CLogP | 4.7456 |
| CLogS | -5.833 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 252.29 |
| Relative PSA | 0.21206 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 3.0228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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