N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-cyanoacetamide
Formula:C8H6N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C8H6N3O2Br |
| Smiles | N#CCC(N/N=C/c(o1)ccc1Br)=O |
| InChI | InChI=1S/C8H6BrN3O2/c9-7-2-1-6(14-7)5-11-12-8(13)3-4-10/h1-2,5H,3H2,(H,12,13) |
| InChIK | YBSYCCGSWYBMMR-UHFFFAOYSA-N |
| TotalMolweight | 256.059 |
| Molweight | 256.059 |
| MonoisotopicMass | 254.964338 |
| CLogP | 1.4691 |
| CLogS | -3.248 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 171.02 |
| Relative PSA | 0.37235 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -4.0853 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.78571 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-cyanoacetamide | 2 - N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-cyanoacetamide
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