N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide
Formula:C12H9N2O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C12H9N2O3Br |
| Smiles | Oc(cccc1)c1C(N/N=C\c(o1)ccc1Br)=O |
| InChI | InChI=1S/C12H9BrN2O3/c13-11-6-5-8(18-11)7-14-15-12(17)9-3-1-2-4-10(9)16/h1-7,16H,(H,15,17) |
| InChIK | SSWDWPWUCVZCAP-UHFFFAOYSA-N |
| TotalMolweight | 309.118 |
| Molweight | 309.118 |
| MonoisotopicMass | 307.979654 |
| CLogP | 2.8672 |
| CLogS | -3.704 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 201.66 |
| Relative PSA | 0.3135 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 3.1542 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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