| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | Yes |
Popular Name: 6-[1-(prop-2-yn-1-ylamino)ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one 6-[1-(prop-2-yn-1-ylamino)ethyl]…
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CAS Number: 1038251-44-3
| 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) | 1.24 | 3.71 | -50.26 | 3 | 4 | 1 | 55 | 231.275 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 2.42 | -8.23 | 2 | 4 | 0 | 50 | 230.267 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
