| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 7th, 2008 | 16 | No |
Popular Name: oxo(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-2-yl)acetic acid oxo(4,7,7-trimethyl-3-oxobicyclo…
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CAS Number: 10277-34-6
| 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) | 1.26 | 5.63 | -53.36 | 1 | 4 | -1 | 77 | 223.248 | 1 | ↓ |
| Ref Reference (pH 7) | 1.26 | 6.01 | -137.08 | 0 | 4 | -2 | 80 | 222.24 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 6.46 | -142.39 | 0 | 4 | -2 | 80 | 222.24 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 5.41 | -53.62 | 0 | 4 | -1 | 74 | 223.248 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 5.56 | -51.17 | 1 | 4 | -1 | 77 | 223.248 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
