N'-hydroxy-1-(3-nitropyridin-2-yl)piperidine-4-carboximidamide
Formula:C11H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-1-(3-nitropyridin-2-yl)piperidine-4-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-1-(3-nitropyridin-2-yl)piperidine-4-carboximidamide |
| MolecularFormula | C11H15N5O3 |
| Smiles | N/C(/C(CC1)CCN1c(nccc1)c1[N+]([O-])=O)=N/O |
| InChI | InChI=1S/C11H15N5O3/c12-10(14-17)8-3-6-15(7-4-8)11-9(16(18)19)2-1-5-13-11/h1-2,5,8,17H,3-4,6-7H2,(H2,12,14) |
| InChIK | IFYCQHVBNYRVIX-UHFFFAOYSA-N |
| TotalMolweight | 265.272 |
| Molweight | 265.272 |
| MonoisotopicMass | 265.11749 |
| CLogP | 0.1381 |
| CLogS | -2.884 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 197.87 |
| Relative PSA | 0.42867 |
| PolarSurfaceArea | 120.56 |
| Druglikeness | -1.384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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