Mol Weight - 196.22
Smiles - CC(C)[C@H](C(O)=O)c(cc1)ccc1F
| Property Name | Property Value |
| Mol Name | ( S ) 2 - ( 4 Fluoro Phenyl ) 3 Methyl Butyric Acid |
| Molweight | 196.22 |
| Monoisotopic Mass | 196.089958 |
| Clogp | 2.3438 |
| Clogs | -2.706 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 153.23 |
| Relative Psa | 0.17059 |
| Polar Surface Area | 37.3 |
| Druglikeness | -4.2672 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.52123 |
| Molecular Complexity | 0.60693 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 3 |
| Acidic Oxygens | 1 |
| Smiles | CC(C)[C@H](C(O)=O)c(cc1)ccc1F |
| InChIKey | InChI=1S/C11H13FO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)/t10-/m0/s1 |
| InChI | YBQLHBYGMUXCEW-JTQLQIEISA-N |
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1 — ( S ) 2 - ( 4 Fluoro Phenyl ) 3 Methyl Butyric Acid | 2 — ( S ) 2 - ( 4 Fluoro Phenyl ) 3 Methyl Butyric Acid