(3R)-3-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid
Formula:C11H12NO2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-3-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid is a drug-like molecule.
| MolName | (3R)-3-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid |
| MolecularFormula | C11H12NO2F3 |
| Smiles | N[C@@H](CC(O)=O)Cc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C11H12F3NO2/c12-11(13,14)8-3-1-7(2-4-8)5-9(15)6-10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m1/s1 |
| InChIK | RCVBUWYXFGWFHR-SECBINFHSA-N |
| TotalMolweight | 247.215 |
| Molweight | 247.215 |
| MonoisotopicMass | 247.082013 |
| CLogP | -0.2465 |
| CLogS | -2.589 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 175.36 |
| Relative PSA | 0.23614 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | -7.8481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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