| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 15 | Yes |
Popular Name: methyl 3-{[(3-bromophenyl)methyl]amino}propanoate hydrochloride methyl 3-{[(3-bromophenyl)methyl…
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CAS Number: 1803585-90-1
| 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) | 2.11 | 6.62 | -48.29 | 2 | 3 | 1 | 43 | 273.15 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 5.27 | -6.04 | 1 | 3 | 0 | 38 | 272.142 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
