N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
Formula:C20H15N3O2I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H15N3O2I2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1I)cc(I)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H15I2N3O2/c21-17-9-15(11-24-25-20(26)16-7-4-8-23-12-16)10-18(22)19(17)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,25,26) |
| InChIK | KFXPMMFXHQWMAW-UHFFFAOYSA-N |
| TotalMolweight | 583.158 |
| Molweight | 583.158 |
| MonoisotopicMass | 582.925373 |
| CLogP | 4.423 |
| CLogS | -6.299 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.83 |
| Relative PSA | 0.17705 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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