| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 24 | Yes |
Popular Name: 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid 1,2,3,4,5,6-Cyclohexanehexacarbo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2216-84-4 , 67537-70-6
1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid Monohydrate
1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid, Monohydrate
1,2,3,4,5,6-Cyclohexanehexacarboxylic acid; EINECS 218-699-8; Hexahydromellitic acid; LS-56878
1,2,3,4,5,6-Cyclohexanehexacarboxylicacid
| 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) | -2.13 | 7.16 | -503.8 | 1 | 12 | -5 | 238 | 343.176 | 6 | ↓ |
| Mid Mid (pH 6-8) | -2.13 | 8.99 | -679.79 | 0 | 12 | -6 | 241 | 342.168 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.13 | 3.13 | -201.23 | 3 | 12 | -3 | 232 | 345.192 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -2.13 | 5.03 | -326.13 | 2 | 12 | -4 | 235 | 344.184 | 6 | ↓ |
