3-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]naphthalene-2-carboxamide
Formula:C16H11N2O3I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-iodofuran-2-yl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C16H11N2O3I |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(o1)ccc1I)=O |
| InChI | InChI=1S/C16H11IN2O3/c17-15-6-5-12(22-15)9-18-19-16(21)13-7-10-3-1-2-4-11(10)8-14(13)20/h1-9,20H,(H,19,21) |
| InChIK | RPIMQBWSRRYMNJ-UHFFFAOYSA-N |
| TotalMolweight | 406.174 |
| Molweight | 406.174 |
| MonoisotopicMass | 405.981441 |
| CLogP | 3.7735 |
| CLogS | -5.492 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.91 |
| Relative PSA | 0.25919 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 6.8374 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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