N-[(Z)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
Formula:C12H9N2OIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C12H9N2OIS |
| Smiles | O=C(c1cccs1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C12H9IN2OS/c13-10-5-2-1-4-9(10)8-14-15-12(16)11-6-3-7-17-11/h1-8H,(H,15,16) |
| InChIK | ZBYOKZUHIZKCTI-UHFFFAOYSA-N |
| TotalMolweight | 356.182 |
| Molweight | 356.182 |
| MonoisotopicMass | 355.948031 |
| CLogP | 3.5053 |
| CLogS | -4.747 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.21 |
| Relative PSA | 0.26944 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 6.5709 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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