4-(2-piperidin-1-ylethoxy)benzoic acid
Formula:C14H19NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(2-piperidin-1-ylethoxy)benzoic acid is a drug-like molecule.
| MolName | 4-(2-piperidin-1-ylethoxy)benzoic acid |
| MolecularFormula | C14H19NO3 |
| Smiles | OC(c(cc1)ccc1OCCN1CCCCC1)=O |
| InChI | InChI=1S/C14H19NO3/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,16,17) |
| InChIK | XARCCBKWQPACEO-UHFFFAOYSA-N |
| TotalMolweight | 249.309 |
| Molweight | 249.309 |
| MonoisotopicMass | 249.136494 |
| CLogP | 0.981 |
| CLogS | -2.026 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 200.48 |
| Relative PSA | 0.19797 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 2.0375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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