N'-hydroxy-4-pyrrolidin-1-ylbutanimidamide
Formula:C8H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-4-pyrrolidin-1-ylbutanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-4-pyrrolidin-1-ylbutanimidamide |
| MolecularFormula | C8H17N3O |
| Smiles | N/C(/CCCN1CCCC1)=N/O |
| InChI | InChI=1S/C8H17N3O/c9-8(10-12)4-3-7-11-5-1-2-6-11/h12H,1-7H2,(H2,9,10) |
| InChIK | YEKPNUPXADZWBC-UHFFFAOYSA-N |
| TotalMolweight | 171.243 |
| Molweight | 171.243 |
| MonoisotopicMass | 171.137162 |
| CLogP | 0.9178 |
| CLogS | -1.259 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 144.46 |
| Relative PSA | 0.30064 |
| PolarSurfaceArea | 61.85 |
| Druglikeness | 1.7796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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