In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2009 | 16 | Yes |
Popular Name: 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid 2-[(4-fluorophenyl)methyl]-1,3-t…
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CAS Number: 1094230-04-2
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) | 2.54 | 6.97 | -46.08 | 0 | 3 | -1 | 53 | 236.247 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 178 - 180 | Enamine Building Blocks |
MP | 178...180 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
PUBCHEM_PATENT_ID | US5888941 | IBM Patent Data |