1-[4-[(Z)-2-nitroethenyl]phenyl]piperidine
Formula:C13H16N2O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
1-[4-[(Z)-2-nitroethenyl]phenyl]piperidine is a drug-like molecule.
| MolName | 1-[4-[(Z)-2-nitroethenyl]phenyl]piperidine |
| MolecularFormula | C13H16N2O2 |
| Smiles | [O-][N+](/C=C\c(cc1)ccc1N1CCCCC1)=O |
| InChI | InChI=1S/C13H16N2O2/c16-15(17)11-8-12-4-6-13(7-5-12)14-9-2-1-3-10-14/h4-8,11H,1-3,9-10H2 |
| InChIK | UBBOZDYLONLBLY-UHFFFAOYSA-N |
| TotalMolweight | 232.282 |
| Molweight | 232.282 |
| MonoisotopicMass | 232.121178 |
| CLogP | 1.6028 |
| CLogS | -3.618 |
| H Acceptors | 4 |
| TotalSurfaceArea | 189.03 |
| Relative PSA | 0.17971 |
| PolarSurfaceArea | 49.06 |
| Druglikeness | -4.586 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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