In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 14 | No |
Popular Name: 4-[ethyl(methyl)amino]-N'-hydroxybenzene-1-carboximidamide 4-[ethyl(methyl)amino]-N'-hydrox…
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CAS Number: 1094777-91-9
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) | 0.73 | 2.74 | -6.87 | 3 | 4 | 0 | 62 | 193.25 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.73 | 2.99 | -23.22 | 4 | 4 | 0 | 63 | 194.258 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.73 | 3.21 | -24.1 | 4 | 4 | 0 | 63 | 194.258 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 2.48 | -30.78 | 4 | 4 | 1 | 63 | 194.258 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 2.57 | -28.39 | 4 | 4 | 1 | 63 | 194.258 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |