| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2006 | 14 | No |
Popular Name: (3Z)-1,7-Dimethyl-1H-indole-2,3-dione 3-oxime (3Z)-1,7-Dimethyl-1H-indole-2,3-…
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CAS Numbers: , 106000-23-1
| 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) | 1.69 | 3 | -11.5 | 1 | 4 | 0 | 55 | 190.202 | 0 | ↓ |
| Ref Reference (pH 7) | 1.36 | 2.66 | -9.54 | 0 | 4 | 0 | 50 | 190.202 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.18 | -61.3 | 0 | 4 | -1 | 57 | 189.194 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 3.31 | -55.11 | 0 | 4 | -1 | 57 | 189.194 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
