(3Z)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]piperidin-2-one
Formula:C13H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3Z)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]piperidin-2-one is a drug-like molecule.
| MolName | (3Z)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]piperidin-2-one |
| MolecularFormula | C13H14N3O3Br |
| Smiles | O=C1NCCC/C1=N/Nc(cc1OCCOc1c1)c1Br |
| InChI | InChI=1S/C13H14BrN3O3/c14-8-6-11-12(20-5-4-19-11)7-10(8)17-16-9-2-1-3-15-13(9)18/h6-7,17H,1-5H2,(H,15,18) |
| InChIK | FUQYVBRPZQUJQP-UHFFFAOYSA-N |
| TotalMolweight | 340.176 |
| Molweight | 340.176 |
| MonoisotopicMass | 339.021853 |
| CLogP | 3.4219 |
| CLogS | -2.984 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 217.33 |
| Relative PSA | 0.31045 |
| PolarSurfaceArea | 71.95 |
| Druglikeness | -6.3247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - (3Z)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]piperidin-2-one | 2 - (3Z)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]piperidin-2-one
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