(E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-2-en-1-ol
Formula:C21H26NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-2-en-1-ol is a drug-like molecule.
| MolName | (E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-2-en-1-ol |
| MolecularFormula | C21H26NO |
| Smiles | OC(/C=C/C[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H25NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,10-15,23H,3,8-9,16-18H2/p+1 |
| InChIK | ZOVDFMBYOLTYRD-UHFFFAOYSA-O |
| TotalMolweight | 308.443 |
| Molweight | 308.443 |
| MonoisotopicMass | 308.201439 |
| CLogP | 1.6747 |
| CLogS | -3.251 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 269.68 |
| Relative PSA | 0.1138 |
| PolarSurfaceArea | 24.67 |
| Druglikeness | -3.8797 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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