N-phenylimino-N'-(3,4,5-tribromoanilino)benzenecarboximidamide
Formula:C19H13N4Br3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-phenylimino-N'-(3,4,5-tribromoanilino)benzenecarboximidamide is not a drug-like molecule.
| MolName | N-phenylimino-N'-(3,4,5-tribromoanilino)benzenecarboximidamide |
| MolecularFormula | C19H13N4Br3 |
| Smiles | Brc1cc(N/N=C(/c2ccccc2)\N=N\c2ccccc2)cc(Br)c1Br |
| InChI | InChI=1S/C19H13Br3N4/c20-16-11-15(12-17(21)18(16)22)24-26-19(13-7-3-1-4-8-13)25-23-14-9-5-2-6-10-14/h1-12,24H |
| InChIK | YGGZDWSXDAHONQ-UHFFFAOYSA-N |
| TotalMolweight | 537.052 |
| Molweight | 537.052 |
| MonoisotopicMass | 533.869029 |
| CLogP | 8.7307 |
| CLogS | -7.46 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.12 |
| Relative PSA | 0.15024 |
| PolarSurfaceArea | 49.11 |
| Druglikeness | -4.9535 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | azo; polyhalo aromatic ring |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 7 |
| StereoCon |
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