| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 14 | No |
Popular Name: 3-(methylsulfanyl)-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile 3-(methylsulfanyl)-2-oxo-2,3-dih…
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CAS Number: 61394-58-9
| 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) | 1.14 | 4.4 | -8.73 | 1 | 3 | 0 | 53 | 204.254 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO1998002434A1 | IBM Patent Data |
