N'-anilino-4-bromo-N-(4-bromophenyl)iminobenzenecarboximidamide
Formula:C19H14N4Br2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-anilino-4-bromo-N-(4-bromophenyl)iminobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-anilino-4-bromo-N-(4-bromophenyl)iminobenzenecarboximidamide |
| MolecularFormula | C19H14N4Br2 |
| Smiles | Brc(cc1)ccc1/C(/N=N/c(cc1)ccc1Br)=N\Nc1ccccc1 |
| InChI | InChI=1S/C19H14Br2N4/c20-15-8-6-14(7-9-15)19(24-22-17-4-2-1-3-5-17)25-23-18-12-10-16(21)11-13-18/h1-13,22H |
| InChIK | MICSIJKNSDFCDA-UHFFFAOYSA-N |
| TotalMolweight | 458.156 |
| Molweight | 458.156 |
| MonoisotopicMass | 455.958518 |
| CLogP | 8.0055 |
| CLogS | -6.626 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.49 |
| Relative PSA | 0.15997 |
| PolarSurfaceArea | 49.11 |
| Druglikeness | -4.9535 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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