In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 30th, 2013 | 15 | Yes |
Popular Name: 3-Methoxy-4-(Trifluoromethyl)Benzoic Acid 3-Methoxy-4-(Trifluoromethyl)Ben…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 213598-09-5 , 276861-63-3
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.73 | 5.44 | -41.58 | 0 | 3 | -1 | 49 | 219.138 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.