(Z)-1-(5-bromothiophen-2-yl)-N-morpholin-4-ylmethanimine
Formula:C9H11N2OBrS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-(5-bromothiophen-2-yl)-N-morpholin-4-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromothiophen-2-yl)-N-morpholin-4-ylmethanimine |
| MolecularFormula | C9H11N2OBrS |
| Smiles | Brc1ccc(/C=N\N2CCOCC2)s1 |
| InChI | InChI=1S/C9H11BrN2OS/c10-9-2-1-8(14-9)7-11-12-3-5-13-6-4-12/h1-2,7H,3-6H2 |
| InChIK | NQCFXULDYGYYDI-UHFFFAOYSA-N |
| TotalMolweight | 275.169 |
| Molweight | 275.169 |
| MonoisotopicMass | 273.977544 |
| CLogP | 2.288 |
| CLogS | -2.692 |
| H Acceptors | 3 |
| TotalSurfaceArea | 174.43 |
| Relative PSA | 0.26039 |
| PolarSurfaceArea | 53.07 |
| Druglikeness | 0.70518 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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