3-(2-bromoethyl)-1H-quinazoline-2,4-dione
Formula:C10H9N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-(2-bromoethyl)-1H-quinazoline-2,4-dione is a drug-like molecule.
| MolName | 3-(2-bromoethyl)-1H-quinazoline-2,4-dione |
| MolecularFormula | C10H9N2O2Br |
| Smiles | O=C(c(cccc1)c1N1)N(CCBr)C1=O |
| InChI | InChI=1S/C10H9BrN2O2/c11-5-6-13-9(14)7-3-1-2-4-8(7)12-10(13)15/h1-4H,5-6H2,(H,12,15) |
| InChIK | HDTBGSPQYIYDES-UHFFFAOYSA-N |
| TotalMolweight | 269.097 |
| Molweight | 269.097 |
| MonoisotopicMass | 267.984739 |
| CLogP | 1.5315 |
| CLogS | -2.984 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 163.17 |
| Relative PSA | 0.25182 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | -2.2835 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
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