[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-iodobenzoate
Formula:C13H10N3O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-iodobenzoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 4-iodobenzoate |
| MolecularFormula | C13H10N3O2I |
| Smiles | N/C(/c1ncccc1)=N/OC(c(cc1)ccc1I)=O |
| InChI | InChI=1S/C13H10IN3O2/c14-10-6-4-9(5-7-10)13(18)19-17-12(15)11-3-1-2-8-16-11/h1-8H,(H2,15,17) |
| InChIK | RCWCGAHOCDEPGE-UHFFFAOYSA-N |
| TotalMolweight | 367.141 |
| Molweight | 367.141 |
| MonoisotopicMass | 366.981775 |
| CLogP | 2.5623 |
| CLogS | -3.781 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 217.3 |
| Relative PSA | 0.27975 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.134 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 4-iodobenzoate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 4-iodobenzoate
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