N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C16H10N2O3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C16H10N2O3Br2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(o1)cc(Br)c1Br)=O |
| InChI | InChI=1S/C16H10Br2N2O3/c17-13-7-11(23-15(13)18)8-19-20-16(22)12-5-9-3-1-2-4-10(9)6-14(12)21/h1-8,21H,(H,20,22) |
| InChIK | PKZMFEAFMWZSIE-UHFFFAOYSA-N |
| TotalMolweight | 438.074 |
| Molweight | 438.074 |
| MonoisotopicMass | 435.905815 |
| CLogP | 4.7868 |
| CLogS | -6.144 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 254.89 |
| Relative PSA | 0.24803 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | -0.91074 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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