N'-[(1-bromonaphthalen-2-yl)amino]-N-(1-bromonaphthalen-2-yl)imino-1-nitro-N-oxido-N-oxomethanimidamide
Formula:C21H13N5O2Br2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N'-[(1-bromonaphthalen-2-yl)amino]-N-(1-bromonaphthalen-2-yl)imino-1-nitro-N-oxido-N-oxomethanimidamide is not a drug-like molecule.
| MolName | N'-[(1-bromonaphthalen-2-yl)amino]-N-(1-bromonaphthalen-2-yl)imino-1-nitro-N-oxido-N-oxomethanimidamide |
| MolecularFormula | C21H13N5O2Br2 |
| Smiles | [O-][N+](/C(/N=N/c(ccc1ccccc11)c1Br)=N\Nc(ccc1ccccc11)c1Br)=O |
| InChI | InChI=1S/C21H13Br2N5O2/c22-19-15-7-3-1-5-13(15)9-11-17(19)24-26-21(28(29)30)27-25-18-12-10-14-6-2-4-8-16(14)20(18)23/h1-12,24H |
| InChIK | GJLRXYHFORZDMP-UHFFFAOYSA-N |
| TotalMolweight | 527.175 |
| Molweight | 527.175 |
| MonoisotopicMass | 524.943597 |
| CLogP | 8.1207 |
| CLogS | -9.282 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 320.6 |
| Relative PSA | 0.23833 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -10.72 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | azo |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(1-bromonaphthalen-2-yl)amino]-N-(1-bromonaphthalen-2-yl)imino-1-nitro-N-oxido-N-oxomethanimidamide | 2 - N'-[(1-bromonaphthalen-2-yl)amino]-N-(1-bromonaphthalen-2-yl)imino-1-nitro-N-oxido-N-oxomethanimidamide
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