| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 17 | No |
Popular Name: Propanenitrile, 3-mercapto-2-(3-propyl-2(3H)-benzothiazolylidene)- (9CI) Propanenitrile, 3-mercapto-2-(3-…
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CAS Number: 153124-23-3
| 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) | 3.65 | 8.67 | -6.25 | 0 | 2 | 0 | 29 | 262.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 9.22 | -49.25 | 0 | 2 | -1 | 29 | 261.395 | 3 | ↓ |
