N'-anilino-4-bromo-N-phenyliminobenzenecarboximidamide
Formula:C19H15N4Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-anilino-4-bromo-N-phenyliminobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-anilino-4-bromo-N-phenyliminobenzenecarboximidamide |
| MolecularFormula | C19H15N4Br |
| Smiles | Brc(cc1)ccc1/C(/N=N/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C19H15BrN4/c20-16-13-11-15(12-14-16)19(23-21-17-7-3-1-4-8-17)24-22-18-9-5-2-6-10-18/h1-14,21H |
| InChIK | AZKFXBZFBAFPGV-UHFFFAOYSA-N |
| TotalMolweight | 379.26 |
| Molweight | 379.26 |
| MonoisotopicMass | 378.048007 |
| CLogP | 7.2803 |
| CLogS | -5.792 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.86 |
| Relative PSA | 0.17106 |
| PolarSurfaceArea | 49.11 |
| Druglikeness | -4.9535 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N'-anilino-4-bromo-N-phenyliminobenzenecarboximidamide | 2 - N'-anilino-4-bromo-N-phenyliminobenzenecarboximidamide
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