N-[(Z)-(2-iodophenyl)methylideneamino]pyridine-4-carboxamide
Formula:C13H10N3OI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-iodophenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H10N3OI |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C13H10IN3O/c14-12-4-2-1-3-11(12)9-16-17-13(18)10-5-7-15-8-6-10/h1-9H,(H,17,18) |
| InChIK | TZODGEFBHUVYGF-UHFFFAOYSA-N |
| TotalMolweight | 351.142 |
| Molweight | 351.142 |
| MonoisotopicMass | 350.98686 |
| CLogP | 2.6378 |
| CLogS | -3.942 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.03 |
| Relative PSA | 0.22157 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.9031 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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