[(E)-[amino-(4-iodophenyl)methylidene]amino] morpholine-4-carboxylate
Formula:C12H14N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-iodophenyl)methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-iodophenyl)methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C12H14N3O3I |
| Smiles | N/C(/c(cc1)ccc1I)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C12H14IN3O3/c13-10-3-1-9(2-4-10)11(14)15-19-12(17)16-5-7-18-8-6-16/h1-4H,5-8H2,(H2,14,15) |
| InChIK | GKYDLVQTRALDLK-UHFFFAOYSA-N |
| TotalMolweight | 375.161 |
| Molweight | 375.161 |
| MonoisotopicMass | 375.00799 |
| CLogP | 2.0299 |
| CLogS | -3.266 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 220.62 |
| Relative PSA | 0.28724 |
| PolarSurfaceArea | 77.15 |
| Druglikeness | -2.5733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-iodophenyl)methylidene]amino] morpholine-4-carboxylate | 2 - [(E)-[amino-(4-iodophenyl)methylidene]amino] morpholine-4-carboxylate
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