1-[(E)-2,3-dibromoprop-2-enyl]-3-(2,6-dichlorophenyl)urea
Formula:C10H8N2OBr2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2,3-dibromoprop-2-enyl]-3-(2,6-dichlorophenyl)urea is a drug-like molecule.
| MolName | 1-[(E)-2,3-dibromoprop-2-enyl]-3-(2,6-dichlorophenyl)urea |
| MolecularFormula | C10H8N2OBr2Cl2 |
| Smiles | O=C(NC/C(/Br)=C\Br)Nc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C10H8Br2Cl2N2O/c11-4-6(12)5-15-10(17)16-9-7(13)2-1-3-8(9)14/h1-4H,5H2,(H2,15,16,17) |
| InChIK | XLWKFIOZDRRFQI-UHFFFAOYSA-N |
| TotalMolweight | 402.901 |
| Molweight | 402.901 |
| MonoisotopicMass | 399.838039 |
| CLogP | 3.8264 |
| CLogS | -5.501 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 220.5 |
| Relative PSA | 0.16308 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -4.1424 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - 1-[(E)-2,3-dibromoprop-2-enyl]-3-(2,6-dichlorophenyl)urea | 2 - 1-[(E)-2,3-dibromoprop-2-enyl]-3-(2,6-dichlorophenyl)urea
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