N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide
Formula:C12H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-piperidin-1-ylbenzenecarboximidamide |
| MolecularFormula | C12H17N3O |
| Smiles | N/C(/c(cccc1)c1N1CCCCC1)=N/O |
| InChI | InChI=1S/C12H17N3O/c13-12(14-16)10-6-2-3-7-11(10)15-8-4-1-5-9-15/h2-3,6-7,16H,1,4-5,8-9H2,(H2,13,14) |
| InChIK | NNFWEUCFGSDCTC-UHFFFAOYSA-N |
| TotalMolweight | 219.287 |
| Molweight | 219.287 |
| MonoisotopicMass | 219.137162 |
| CLogP | 2.2013 |
| CLogS | -3.072 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 176.7 |
| Relative PSA | 0.24578 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | 0.20281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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