| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 26 | Yes |
Popular Name: 3-(benzylsulfanyl)-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 3-(benzylsulfanyl)-1-(2-methylph…
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CAS Number: 439096-81-8
| 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) | 5.58 | 2.31 | -7.36 | 0 | 2 | 0 | 36 | 356.494 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.58 | 2.52 | -29.96 | 1 | 2 | 1 | 37 | 357.502 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 128 - 130 | KeyOrganics |
