In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 20 | Yes |
Popular Name: 2-{[(3-chloro-4-fluorobenzyl)amino]methyl}-6-methoxyphenol 2-{[(3-chloro-4-fluorobenzyl)ami…
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CAS Number: [1223879-65-9]
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) | 3.21 | 6.04 | -53.55 | 3 | 3 | 1 | 46 | 296.749 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 4.67 | -7.8 | 2 | 3 | 0 | 41 | 295.741 | 5 | ↓ |