N'-(4-bromoanilino)-N-(4-bromophenyl)imino-1-nitro-N-oxido-N-oxomethanimidamide
Formula:C13H9N5O2Br2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N'-(4-bromoanilino)-N-(4-bromophenyl)imino-1-nitro-N-oxido-N-oxomethanimidamide is not a drug-like molecule.
| MolName | N'-(4-bromoanilino)-N-(4-bromophenyl)imino-1-nitro-N-oxido-N-oxomethanimidamide |
| MolecularFormula | C13H9N5O2Br2 |
| Smiles | [O-][N+](/C(/N=N/c(cc1)ccc1Br)=N\Nc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C13H9Br2N5O2/c14-9-1-5-11(6-2-9)16-18-13(20(21)22)19-17-12-7-3-10(15)4-8-12/h1-8,16H |
| InChIK | NEOHZFREYMNAPQ-UHFFFAOYSA-N |
| TotalMolweight | 427.055 |
| Molweight | 427.055 |
| MonoisotopicMass | 424.912297 |
| CLogP | 5.7319 |
| CLogS | -6.07 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 251.4 |
| Relative PSA | 0.30394 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -10.72 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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