2-(4-iodophenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C19H15N2O2I
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(4-iodophenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-iodophenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C19H15N2O2I |
| Smiles | O=C(COc(cc1)ccc1I)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H15IN2O2/c20-16-8-10-17(11-9-16)24-13-19(23)22-21-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-12H,13H2,(H,22,23) |
| InChIK | RFKXAYREJHPCJL-UHFFFAOYSA-N |
| TotalMolweight | 430.24 |
| Molweight | 430.24 |
| MonoisotopicMass | 430.017826 |
| CLogP | 4.408 |
| CLogS | -6.123 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.63 |
| Relative PSA | 0.16938 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.6454 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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