1-[(2-bromophenyl)methyl]azetidine
Formula:C10H12NBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2-bromophenyl)methyl]azetidine is a drug-like molecule.
| MolName | 1-[(2-bromophenyl)methyl]azetidine |
| MolecularFormula | C10H12NBr |
| Smiles | Brc1c(CN2CCC2)cccc1 |
| InChI | InChI=1S/C10H12BrN/c11-10-5-2-1-4-9(10)8-12-6-3-7-12/h1-2,4-5H,3,6-8H2 |
| InChIK | HYDQGSGCAXRHND-UHFFFAOYSA-N |
| TotalMolweight | 226.116 |
| Molweight | 226.116 |
| MonoisotopicMass | 225.01531 |
| CLogP | 2.4567 |
| CLogS | -2.38 |
| H Acceptors | 1 |
| TotalSurfaceArea | 143.73 |
| Relative PSA | 0.024699 |
| PolarSurfaceArea | 3.24 |
| Druglikeness | 0.50145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(2-bromophenyl)methyl]azetidine | 2 - 1-[(2-bromophenyl)methyl]azetidine
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