N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]pyridine-3-carboxamide
Formula:C20H14N3O2ClI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H14N3O2ClI2 |
| Smiles | O=C(c1cnccc1)N/N=C\c(cc1I)cc(I)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H14ClI2N3O2/c21-16-5-3-13(4-6-16)12-28-19-17(22)8-14(9-18(19)23)10-25-26-20(27)15-2-1-7-24-11-15/h1-11H,12H2,(H,26,27) |
| InChIK | UCLSNDUFVMMMOM-UHFFFAOYSA-N |
| TotalMolweight | 617.603 |
| Molweight | 617.603 |
| MonoisotopicMass | 616.8864 |
| CLogP | 5.029 |
| CLogS | -7.035 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 337.25 |
| Relative PSA | 0.16895 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.5056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]pyridine-3-carboxamide | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]pyridine-3-carboxamide
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