In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 16 | No |
Popular Name: (2S)-2-chloro-3-[4-methyl-3-(trifluoromethyl)phenyl]propanal (2S)-2-chloro-3-[4-methyl-3-(tri…
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) | 3.80 | 7.73 | -9.18 | 0 | 1 | 0 | 17 | 250.647 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.27 | 6.56 | -39.64 | 0 | 1 | -1 | 23 | 249.639 | 3 | ↓ |