[(Z)-[(5,7-dibromo-1-benzofuran-2-yl)-phenylmethylidene]amino] thiophene-2-carboxylate
Formula:C20H11NO3Br2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(Z)-[(5,7-dibromo-1-benzofuran-2-yl)-phenylmethylidene]amino] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(Z)-[(5,7-dibromo-1-benzofuran-2-yl)-phenylmethylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C20H11NO3Br2S |
| Smiles | O=C(c1cccs1)O/N=C(\c1cc2cc(Br)cc(Br)c2o1)/c1ccccc1 |
| InChI | InChI=1S/C20H11Br2NO3S/c21-14-9-13-10-16(25-19(13)15(22)11-14)18(12-5-2-1-3-6-12)23-26-20(24)17-7-4-8-27-17/h1-11H |
| InChIK | KEXUTFGSUOHELG-UHFFFAOYSA-N |
| TotalMolweight | 505.185 |
| Molweight | 505.185 |
| MonoisotopicMass | 502.882636 |
| CLogP | 6.9374 |
| CLogS | -8.408 |
| H Acceptors | 4 |
| TotalSurfaceArea | 300.99 |
| Relative PSA | 0.22931 |
| PolarSurfaceArea | 80.04 |
| Druglikeness | -1.8138 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-[(5,7-dibromo-1-benzofuran-2-yl)-phenylmethylidene]amino] thiophene-2-carboxylate | 2 - [(Z)-[(5,7-dibromo-1-benzofuran-2-yl)-phenylmethylidene]amino] thiophene-2-carboxylate
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