[(E)-[amino-(4-bromophenyl)methylidene]amino] furan-3-carboxylate
Formula:C12H9N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-bromophenyl)methylidene]amino] furan-3-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] furan-3-carboxylate |
| MolecularFormula | C12H9N2O3Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(c1cocc1)=O |
| InChI | InChI=1S/C12H9BrN2O3/c13-10-3-1-8(2-4-10)11(14)15-18-12(16)9-5-6-17-7-9/h1-7H,(H2,14,15) |
| InChIK | YIUNEOPVURVELB-UHFFFAOYSA-N |
| TotalMolweight | 309.118 |
| Molweight | 309.118 |
| MonoisotopicMass | 307.979654 |
| CLogP | 2.932 |
| CLogS | -4.028 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 200.58 |
| Relative PSA | 0.31873 |
| PolarSurfaceArea | 77.82 |
| Druglikeness | -3.7662 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] furan-3-carboxylate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] furan-3-carboxylate
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