N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide
Formula:C11H9N2O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide is a drug-like molecule.
| MolName | N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-thiophen-2-ylacetamide |
| MolecularFormula | C11H9N2O2BrS |
| Smiles | O=C(Cc1cccs1)N/N=C/c(o1)ccc1Br |
| InChI | InChI=1S/C11H9BrN2O2S/c12-10-4-3-8(16-10)7-13-14-11(15)6-9-2-1-5-17-9/h1-5,7H,6H2,(H,14,15) |
| InChIK | RNRXIMXTFGXTPN-UHFFFAOYSA-N |
| TotalMolweight | 313.174 |
| Molweight | 313.174 |
| MonoisotopicMass | 311.956809 |
| CLogP | 3.0776 |
| CLogS | -3.975 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 205.01 |
| Relative PSA | 0.34379 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 4.4906 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| StereoCon |
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