N-[(Z)-(3-bromophenyl)methylideneamino]furan-2-carboxamide
Formula:C12H9N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]furan-2-carboxamide |
| MolecularFormula | C12H9N2O2Br |
| Smiles | O=C(c1ccco1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C12H9BrN2O2/c13-10-4-1-3-9(7-10)8-14-15-12(16)11-5-2-6-17-11/h1-8H,(H,15,16) |
| InChIK | NIANEQCIOLRIRH-UHFFFAOYSA-N |
| TotalMolweight | 293.119 |
| Molweight | 293.119 |
| MonoisotopicMass | 291.984739 |
| CLogP | 3.1155 |
| CLogS | -4.237 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 195.31 |
| Relative PSA | 0.25662 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 2.5833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| StereoCon |
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