3-morpholin-4-ium-4-ylpropyl 3,4-dihydroxybenzoate
Formula:C14H20NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-ium-4-ylpropyl 3,4-dihydroxybenzoate is a drug-like molecule.
| MolName | 3-morpholin-4-ium-4-ylpropyl 3,4-dihydroxybenzoate |
| MolecularFormula | C14H20NO5 |
| Smiles | Oc(ccc(C(OCCC[NH+]1CCOCC1)=O)c1)c1O |
| InChI | InChI=1S/C14H19NO5/c16-12-3-2-11(10-13(12)17)14(18)20-7-1-4-15-5-8-19-9-6-15/h2-3,10,16-17H,1,4-9H2/p+1 |
| InChIK | MINGGGSIZDLNBS-UHFFFAOYSA-O |
| TotalMolweight | 282.315 |
| Molweight | 282.315 |
| MonoisotopicMass | 282.134149 |
| CLogP | -1.1053 |
| CLogS | -0.925 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 230.87 |
| Relative PSA | 0.33278 |
| PolarSurfaceArea | 80.43 |
| Druglikeness | -3.3523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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