(3E)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one
Formula:C11H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(3E)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one is a drug-like molecule.
| MolName | (3E)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one |
| MolecularFormula | C11H12N3OBr |
| Smiles | O=C1NCCC/C1=N\Nc(cc1)ccc1Br |
| InChI | InChI=1S/C11H12BrN3O/c12-8-3-5-9(6-4-8)14-15-10-2-1-7-13-11(10)16/h3-6,14H,1-2,7H2,(H,13,16) |
| InChIK | SCVDTEHDHGYDMX-UHFFFAOYSA-N |
| TotalMolweight | 282.14 |
| Molweight | 282.14 |
| MonoisotopicMass | 281.016373 |
| CLogP | 3.4431 |
| CLogS | -2.802 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 183.31 |
| Relative PSA | 0.25896 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 0.79595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one | 2 - (3E)-3-[(4-bromophenyl)hydrazinylidene]piperidin-2-one
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