In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 19 | Yes |
Popular Name: 4-Chloro-2-{[(3-chloro-4-fluorobenzyl)amino]methyl}phenol 4-Chloro-2-{[(3-chloro-4-fluorob…
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CAS Number: [1232796-25-6]
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) | 4.26 | 6.53 | -52.54 | 3 | 2 | 1 | 37 | 301.168 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 5.15 | -6.51 | 2 | 2 | 0 | 32 | 300.16 | 4 | ↓ |