| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 30 | Yes |
Popular Name: Xanthylium, 3,6-bis(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-, perchlorate (1:1) Xanthylium, 3,6-bis(dimethylamin…
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CAS Number: 115532-50-8
3,6-Bis(dimethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium perchlorate
| 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) | 2.36 | 13.5 | -13.07 | 0 | 5 | 0 | 44 | 401.486 | 5 | ↓ |
| Ref Reference (pH 7) | 1.49 | 12.44 | -21.36 | 0 | 5 | 1 | 46 | 401.486 | 4 | ↓ |
