2-[(Z)-(2-bromo-1-phenylethylidene)amino]guanidine
Formula:C9H11N4Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-(2-bromo-1-phenylethylidene)amino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(2-bromo-1-phenylethylidene)amino]guanidine |
| MolecularFormula | C9H11N4Br |
| Smiles | NC(N)=N/N=C(\CBr)/c1ccccc1 |
| InChI | InChI=1S/C9H11BrN4/c10-6-8(13-14-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H4,11,12,14) |
| InChIK | UNSDFWBQKXBXPV-UHFFFAOYSA-N |
| TotalMolweight | 255.118 |
| Molweight | 255.118 |
| MonoisotopicMass | 254.016707 |
| CLogP | 2.1715 |
| CLogS | -3.893 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 168.63 |
| Relative PSA | 0.31762 |
| PolarSurfaceArea | 76.76 |
| Druglikeness | -5.1907 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide; dimethylene-hydrazine |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-(2-bromo-1-phenylethylidene)amino]guanidine | 2 - 2-[(Z)-(2-bromo-1-phenylethylidene)amino]guanidine
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