In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 15 | No |
Popular Name: (S)-2-((2-(TRIFLUOROMETHYL)PHENOXY)METHYL)OXIRANE (S)-2-((2-(TRIFLUOROMETHYL)PHENO…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 134598-04-2 , 4698-95-7
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) | 2.68 | 4.32 | -9.33 | 0 | 2 | 0 | 22 | 218.174 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | EP0412814A2; EP0412814A3 | IBM Patent Data |