| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 16 | No |
Popular Name: 2-(2-methylpropanoyl)indane-1,3-dione, 97% 2-(2-methylpropanoyl)indane-1,3-…
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CAS Number: 09/11/26
| 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) | 1.84 | 6.24 | -48.43 | 0 | 3 | -1 | 57 | 215.228 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 5.6 | -6.49 | 1 | 3 | 0 | 54 | 216.236 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0862860A2; EP0862860A3; US6025301 | IBM Patent Data |
