2-amino-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
Formula:C12H10N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C12H10N3O2Br |
| Smiles | Nc(cccc1)c1C(N/N=C/c(o1)ccc1Br)=O |
| InChI | InChI=1S/C12H10BrN3O2/c13-11-6-5-8(18-11)7-15-16-12(17)9-3-1-2-4-10(9)14/h1-7H,14H2,(H,16,17) |
| InChIK | KRULCESOMLJEJA-UHFFFAOYSA-N |
| TotalMolweight | 308.134 |
| Molweight | 308.134 |
| MonoisotopicMass | 306.995638 |
| CLogP | 2.5356 |
| CLogS | -4.076 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 203.83 |
| Relative PSA | 0.32081 |
| PolarSurfaceArea | 80.62 |
| Druglikeness | 3.1312 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-amino-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide | 2 - 2-amino-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off