N'-nitro-4-(pyridine-2-carbonyl)piperazine-1-carboximidamide
Formula:C11H14N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-nitro-4-(pyridine-2-carbonyl)piperazine-1-carboximidamide is a drug-like molecule.
| MolName | N'-nitro-4-(pyridine-2-carbonyl)piperazine-1-carboximidamide |
| MolecularFormula | C11H14N6O3 |
| Smiles | N/C(/N(CC1)CCN1C(c1ncccc1)=O)=N/[N+]([O-])=O |
| InChI | InChI=1S/C11H14N6O3/c12-11(14-17(19)20)16-7-5-15(6-8-16)10(18)9-3-1-2-4-13-9/h1-4H,5-8H2,(H2,12,14) |
| InChIK | PWDCNPQGLVVIAJ-UHFFFAOYSA-N |
| TotalMolweight | 278.271 |
| Molweight | 278.271 |
| MonoisotopicMass | 278.112739 |
| CLogP | -0.566 |
| CLogS | -1.587 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 207.07 |
| Relative PSA | 0.42647 |
| PolarSurfaceArea | 120.64 |
| Druglikeness | 4.2311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | N-nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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