(3R)-3-amino-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
Formula:C10H8NO2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid |
| MolecularFormula | C10H8NO2F5 |
| Smiles | N[C@@H](CC(O)=O)Cc(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C10H8F5NO2/c11-6-4(1-3(16)2-5(17)18)7(12)9(14)10(15)8(6)13/h3H,1-2,16H2,(H,17,18)/t3-/m1/s1 |
| InChIK | IBSVXBXKRWGCRU-GSVOUGTGSA-N |
| TotalMolweight | 269.169 |
| Molweight | 269.169 |
| MonoisotopicMass | 269.047519 |
| CLogP | -0.5908 |
| CLogS | -3.381 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 177.65 |
| Relative PSA | 0.2331 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -1.9981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-3-amino-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid | 2 - (3R)-3-amino-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
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