[(E)-[amino-(4-iodophenyl)methylidene]amino] thiophene-2-carboxylate
Formula:C12H9N2O2IS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-iodophenyl)methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C12H9N2O2IS |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C12H9IN2O2S/c13-9-5-3-8(4-6-9)11(14)15-17-12(16)10-2-1-7-18-10/h1-7H,(H2,14,15) |
| InChIK | WOLCPRJDHGGIML-UHFFFAOYSA-N |
| TotalMolweight | 372.181 |
| Molweight | 372.181 |
| MonoisotopicMass | 371.942946 |
| CLogP | 3.3758 |
| CLogS | -4.562 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.48 |
| Relative PSA | 0.32721 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | 0.34833 |
| 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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1 - [(E)-[amino-(4-iodophenyl)methylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[amino-(4-iodophenyl)methylidene]amino] thiophene-2-carboxylate
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