3,5-dibromo-N-[(Z)-furan-2-ylmethylideneamino]-2-hydroxybenzamide
Formula:C12H8N2O3Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
3,5-dibromo-N-[(Z)-furan-2-ylmethylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 3,5-dibromo-N-[(Z)-furan-2-ylmethylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C12H8N2O3Br2 |
| Smiles | Oc(c(C(N/N=C\c1ccco1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C12H8Br2N2O3/c13-7-4-9(11(17)10(14)5-7)12(18)16-15-6-8-2-1-3-19-8/h1-6,17H,(H,16,18) |
| InChIK | CZNWFBZJEGDVEU-UHFFFAOYSA-N |
| TotalMolweight | 388.015 |
| Molweight | 388.015 |
| MonoisotopicMass | 385.890165 |
| CLogP | 3.495 |
| CLogS | -4.775 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 220.29 |
| Relative PSA | 0.28699 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 2.3582 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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