(4R)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol
Formula:C15H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4R)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol is a drug-like molecule.
| MolName | (4R)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol |
| MolecularFormula | C15H15NO4 |
| Smiles | Oc(ccc([C@@H](CNC1)c(cc2)c1c(O)c2O)c1)c1O |
| InChI | InChI=1S/C15H15NO4/c17-12-3-1-8(5-14(12)19)10-6-16-7-11-9(10)2-4-13(18)15(11)20/h1-5,10,16-20H,6-7H2/t10-/m1/s1 |
| InChIK | FULLEMQICAKPOE-SNVBAGLBSA-N |
| TotalMolweight | 273.287 |
| Molweight | 273.287 |
| MonoisotopicMass | 273.100109 |
| CLogP | 0.6864 |
| CLogS | -1.806 |
| H Acceptors | 5 |
| H Donors | 5 |
| TotalSurfaceArea | 196.4 |
| Relative PSA | 0.32515 |
| PolarSurfaceArea | 92.95 |
| Druglikeness | 0.66044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (4R)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol | 2 - (4R)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol
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