[(E)-[amino-(3-bromophenyl)methylidene]amino] thiophene-2-carboxylate
Formula:C12H9N2O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-bromophenyl)methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(3-bromophenyl)methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C12H9N2O2BrS |
| Smiles | N/C(/c1cccc(Br)c1)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C12H9BrN2O2S/c13-9-4-1-3-8(7-9)11(14)15-17-12(16)10-5-2-6-18-10/h1-7H,(H2,14,15) |
| InChIK | LNIHPYMKYOLFIN-UHFFFAOYSA-N |
| TotalMolweight | 325.185 |
| Molweight | 325.185 |
| MonoisotopicMass | 323.956809 |
| CLogP | 3.6639 |
| CLogS | -4.38 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.83 |
| Relative PSA | 0.33931 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -1.9182 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| 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 |
| StereoCon |
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1 - [(E)-[amino-(3-bromophenyl)methylidene]amino] thiophene-2-carboxylate | 2 - [(E)-[amino-(3-bromophenyl)methylidene]amino] thiophene-2-carboxylate
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