| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 15 | Yes |
Popular Name: 1-Phenyl-N-(2-thienylmethyl)-1-ethanamine 1-Phenyl-N-(2-thienylmethyl)-1-e…
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CAS Numbers: 680185-68-6 , [680185-68-6]
| 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) | 3.35 | 8.01 | -38.35 | 2 | 1 | 1 | 17 | 218.345 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 6.88 | -2.67 | 1 | 1 | 0 | 12 | 217.337 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
