[(Z)-[2-(2-bromoethoxy)phenyl]methylideneamino]urea
Formula:C10H12N3O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[(Z)-[2-(2-bromoethoxy)phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[2-(2-bromoethoxy)phenyl]methylideneamino]urea |
| MolecularFormula | C10H12N3O2Br |
| Smiles | NC(N/N=C\c(cccc1)c1OCCBr)=O |
| InChI | InChI=1S/C10H12BrN3O2/c11-5-6-16-9-4-2-1-3-8(9)7-13-14-10(12)15/h1-4,7H,5-6H2,(H3,12,14,15) |
| InChIK | NXQHLYAOGBKYBQ-UHFFFAOYSA-N |
| TotalMolweight | 286.128 |
| Molweight | 286.128 |
| MonoisotopicMass | 285.011288 |
| CLogP | 1.8319 |
| CLogS | -3.675 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 191.9 |
| Relative PSA | 0.31933 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -1.7494 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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