(3R)-3-amino-4-(3,4-difluorophenyl)butanoic acid
Formula:C10H11NO2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-(3,4-difluorophenyl)butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-(3,4-difluorophenyl)butanoic acid |
| MolecularFormula | C10H11NO2F2 |
| Smiles | N[C@@H](CC(O)=O)Cc(cc1)cc(F)c1F |
| InChI | InChI=1S/C10H11F2NO2/c11-8-2-1-6(4-9(8)12)3-7(13)5-10(14)15/h1-2,4,7H,3,5,13H2,(H,14,15)/t7-/m1/s1 |
| InChIK | LYHJWUKHUZUWDC-SSDOTTSWSA-N |
| TotalMolweight | 215.198 |
| Molweight | 215.198 |
| MonoisotopicMass | 215.075785 |
| CLogP | -0.8932 |
| CLogS | -2.439 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 158.6 |
| Relative PSA | 0.2611 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -1.9981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (3R)-3-amino-4-(3,4-difluorophenyl)butanoic acid | 2 - (3R)-3-amino-4-(3,4-difluorophenyl)butanoic acid
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