[(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2-iodobenzoate
Formula:C19H13N2O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2-iodobenzoate is a drug-like molecule.
| MolName | [(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2-iodobenzoate |
| MolecularFormula | C19H13N2O2I |
| Smiles | O=C(c(cccc1)c1I)O/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C19H13IN2O2/c20-17-9-5-4-8-16(17)19(23)24-22-18(14-6-2-1-3-7-14)15-10-12-21-13-11-15/h1-13H |
| InChIK | JKVMTHJPDOFZBU-UHFFFAOYSA-N |
| TotalMolweight | 428.224 |
| Molweight | 428.224 |
| MonoisotopicMass | 428.002176 |
| CLogP | 4.551 |
| CLogS | -5.768 |
| H Acceptors | 4 |
| TotalSurfaceArea | 268.54 |
| Relative PSA | 0.16951 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -1.9602 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2-iodobenzoate | 2 - [(E)-[phenyl(pyridin-4-yl)methylidene]amino] 2-iodobenzoate
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