1-[(E)-2-nitroethenyl]piperidin-1-ium
Formula:C7H13N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-nitroethenyl]piperidin-1-ium is a drug-like molecule.
| MolName | 1-[(E)-2-nitroethenyl]piperidin-1-ium |
| MolecularFormula | C7H13N2O2 |
| Smiles | [O-][N+](/C=C/[NH+]1CCCCC1)=O |
| InChI | InChI=1S/C7H12N2O2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-7H,1-5H2/p+1 |
| InChIK | IGTWYMQBGKAFCF-UHFFFAOYSA-O |
| TotalMolweight | 157.192 |
| Molweight | 157.192 |
| MonoisotopicMass | 157.097703 |
| CLogP | -2.4784 |
| CLogS | -1.659 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 143.31 |
| Relative PSA | 0.33501 |
| PolarSurfaceArea | 50.26 |
| Druglikeness | -10.247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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