| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2009 | 34 | No |
Popular Name: 3,3'-Diethyl-9-methyl-4,5,4',5'-dibenzothiacarbocyanine 3,3'-Diethyl-9-methyl-4,5,4',5'-…
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CAS Number: 7423-31-6
| 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) | 5.39 | 17.98 | -28.43 | 0 | 2 | 1 | 9 | 479.694 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
