N'-nitro-4-(4-nitrophenyl)sulfonylpiperazine-1-carboximidamide
Formula:C11H14N6O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-nitro-4-(4-nitrophenyl)sulfonylpiperazine-1-carboximidamide is not a drug-like molecule.
| MolName | N'-nitro-4-(4-nitrophenyl)sulfonylpiperazine-1-carboximidamide |
| MolecularFormula | C11H14N6O6S |
| Smiles | N/C(/N(CC1)CCN1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=N/[N+]([O-])=O |
| InChI | InChI=1S/C11H14N6O6S/c12-11(13-17(20)21)14-5-7-15(8-6-14)24(22,23)10-3-1-9(2-4-10)16(18)19/h1-4H,5-8H2,(H2,12,13) |
| InChIK | OUUVIXYWEHXCRV-UHFFFAOYSA-N |
| TotalMolweight | 358.334 |
| Molweight | 358.334 |
| MonoisotopicMass | 358.069554 |
| CLogP | -1.1722 |
| CLogS | -2.314 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 242.81 |
| Relative PSA | 0.5078 |
| PolarSurfaceArea | 179.02 |
| Druglikeness | -4.0844 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; N-nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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