N-[(Z)-(4-bromophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
Formula:C14H12N3OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide |
| MolecularFormula | C14H12N3OBrS |
| Smiles | O=C(CSc1ncccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C14H12BrN3OS/c15-12-6-4-11(5-7-12)9-17-18-13(19)10-20-14-3-1-2-8-16-14/h1-9H,10H2,(H,18,19) |
| InChIK | LALRXIAFQLFSDK-UHFFFAOYSA-N |
| TotalMolweight | 350.239 |
| Molweight | 350.239 |
| MonoisotopicMass | 348.988443 |
| CLogP | 3.2361 |
| CLogS | -4.065 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 235.63 |
| Relative PSA | 0.27361 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 3.0028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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