N-(2-bromophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide
Formula:C16H10NO2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]formamide |
| MolecularFormula | C16H10NO2BrS |
| Smiles | O=CN(/C=C1\Sc(cccc2)c2C1=O)c(cccc1)c1Br |
| InChI | InChI=1S/C16H10BrNO2S/c17-12-6-2-3-7-13(12)18(10-19)9-15-16(20)11-5-1-4-8-14(11)21-15/h1-10H |
| InChIK | GQNHTRSGJKTVFO-UHFFFAOYSA-N |
| TotalMolweight | 360.23 |
| Molweight | 360.23 |
| MonoisotopicMass | 358.96156 |
| CLogP | 2.9009 |
| CLogS | -5.963 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.94 |
| Relative PSA | 0.20672 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 1.1322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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