| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 15 | Yes |
Popular Name: 2-[1-(carboxymethyl)-3-methyl-cyclohexyl]acetic acid; 5345-12-0; nsc3001 2-[1-(carboxymethyl)-3-methyl-cy…
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CAS Number: 5345-12-0
| 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) | 1.34 | 7.17 | -116.4 | 0 | 4 | -2 | 80 | 212.245 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 5.2 | -44.85 | 1 | 4 | -1 | 77 | 213.253 | 4 | ↓ |
