N-[(Z)-(3-iodophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
Formula:C14H12N3OIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide |
| MolecularFormula | C14H12N3OIS |
| Smiles | O=C(CSc1ncccc1)N/N=C\c1cccc(I)c1 |
| InChI | InChI=1S/C14H12IN3OS/c15-12-5-3-4-11(8-12)9-17-18-13(19)10-20-14-6-1-2-7-16-14/h1-9H,10H2,(H,18,19) |
| InChIK | BROAGTIAQOPHSD-UHFFFAOYSA-N |
| TotalMolweight | 397.235 |
| Molweight | 397.235 |
| MonoisotopicMass | 396.97458 |
| CLogP | 2.948 |
| CLogS | -4.247 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.28 |
| Relative PSA | 0.265 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 5.2199 |
| Mutagenic | none |
| 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 | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-iodophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide | 2 - N-[(Z)-(3-iodophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
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