[(E)-[amino-(2-chlorophenyl)methylidene]amino] 5-bromofuran-2-carboxylate
Formula:C12H8N2O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(2-chlorophenyl)methylidene]amino] 5-bromofuran-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(2-chlorophenyl)methylidene]amino] 5-bromofuran-2-carboxylate |
| MolecularFormula | C12H8N2O3BrCl |
| Smiles | N/C(/c(cccc1)c1Cl)=N/OC(c(o1)ccc1Br)=O |
| InChI | InChI=1S/C12H8BrClN2O3/c13-10-6-5-9(18-10)12(17)19-16-11(15)7-3-1-2-4-8(7)14/h1-6H,(H2,15,16) |
| InChIK | WSJCAMISEFUWHH-UHFFFAOYSA-N |
| TotalMolweight | 343.564 |
| Molweight | 343.564 |
| MonoisotopicMass | 341.940681 |
| CLogP | 3.6894 |
| CLogS | -4.551 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 216 |
| Relative PSA | 0.29597 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -4.01 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [(E)-[amino-(2-chlorophenyl)methylidene]amino] 5-bromofuran-2-carboxylate | 2 - [(E)-[amino-(2-chlorophenyl)methylidene]amino] 5-bromofuran-2-carboxylate
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