| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 13 | Yes |
Popular Name: 3-[(1-Phenylethyl)amino]propanenitrile 3-[(1-Phenylethyl)amino]propanen…
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CAS Numbers: 112971-19-4 , [112971-19-4]
| 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) | 1.51 | 5.24 | -7.57 | 1 | 2 | 0 | 36 | 174.247 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 6.49 | -55.01 | 2 | 2 | 1 | 40 | 175.255 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
