[(E)-[2-bromo-1-(4-phenylphenyl)ethylidene]amino]urea
Formula:C15H14N3OBr
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[(E)-[2-bromo-1-(4-phenylphenyl)ethylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[2-bromo-1-(4-phenylphenyl)ethylidene]amino]urea |
| MolecularFormula | C15H14N3OBr |
| Smiles | NC(N/N=C(/CBr)\c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C15H14BrN3O/c16-10-14(18-19-15(17)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H3,17,19,20) |
| InChIK | FYOPNPAOGCYOSH-UHFFFAOYSA-N |
| TotalMolweight | 332.2 |
| Molweight | 332.2 |
| MonoisotopicMass | 331.032023 |
| CLogP | 3.0927 |
| CLogS | -5.803 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 226.11 |
| Relative PSA | 0.22679 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | -2.4566 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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