3-hydroxy-4-iodo-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide
Formula:C19H13N4O5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-4-iodo-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-hydroxy-4-iodo-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide |
| MolecularFormula | C19H13N4O5I |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=N\NC(c(cc2)cc(O)c2I)=O)cc1)=O |
| InChI | InChI=1S/C19H13IN4O5/c20-16-7-3-13(9-17(16)25)19(26)23-22-10-12-1-5-15(6-2-12)29-18-8-4-14(11-21-18)24(27)28/h1-11,25H,(H,23,26) |
| InChIK | ZSDHQYGEDCYAGE-UHFFFAOYSA-N |
| TotalMolweight | 504.235 |
| Molweight | 504.235 |
| MonoisotopicMass | 503.993069 |
| CLogP | 3.1175 |
| CLogS | -6.928 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 311.81 |
| Relative PSA | 0.32231 |
| PolarSurfaceArea | 129.63 |
| Druglikeness | -0.41645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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