[(Z)-(3-bromophenyl)methylideneamino]urea
Formula:C8H8N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-bromophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(3-bromophenyl)methylideneamino]urea |
| MolecularFormula | C8H8N3OBr |
| Smiles | NC(N/N=C\c1cccc(Br)c1)=O |
| InChI | InChI=1S/C8H8BrN3O/c9-7-3-1-2-6(4-7)5-11-12-8(10)13/h1-5H,(H3,10,12,13) |
| InChIK | ZUBWQQCVFGMWAF-UHFFFAOYSA-N |
| TotalMolweight | 242.076 |
| Molweight | 242.076 |
| MonoisotopicMass | 240.985073 |
| CLogP | 1.8605 |
| CLogS | -3.648 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 154.38 |
| Relative PSA | 0.33217 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 2.5067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| StereoCon |
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