[(E)-[amino-(4-iodophenyl)methylidene]amino] furan-2-carboxylate
Formula:C12H9N2O3I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-iodophenyl)methylidene]amino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] furan-2-carboxylate |
| MolecularFormula | C12H9N2O3I |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(c1ccco1)=O |
| InChI | InChI=1S/C12H9IN2O3/c13-9-5-3-8(4-6-9)11(14)15-18-12(16)10-2-1-7-17-10/h1-7H,(H2,14,15) |
| InChIK | NEWUKPASVMNHMW-UHFFFAOYSA-N |
| TotalMolweight | 356.114 |
| Molweight | 356.114 |
| MonoisotopicMass | 355.965791 |
| CLogP | 2.6979 |
| CLogS | -4.234 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 208.23 |
| Relative PSA | 0.30702 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -1.491 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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