2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid
Formula:C11H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid |
| MolecularFormula | C11H13NO2 |
| Smiles | OC(C[C@@H](C1)NCc2c1cccc2)=O |
| InChI | InChI=1S/C11H13NO2/c13-11(14)6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m1/s1 |
| InChIK | QYYIBCOJRFOBDJ-SNVBAGLBSA-N |
| TotalMolweight | 191.229 |
| Molweight | 191.229 |
| MonoisotopicMass | 191.094629 |
| CLogP | -1.4352 |
| CLogS | -1.964 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 149.1 |
| Relative PSA | 0.25218 |
| PolarSurfaceArea | 49.33 |
| Druglikeness | 1.0748 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - 2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid | 2 - 2-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]acetic acid
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