In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | No |
Popular Name: N'-hydroxy-3-(pyridin-3-ylmethoxy)benzene-1-carboximidamide N'-hydroxy-3-(pyridin-3-ylmethox…
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CAS Number: 1016731-81-9
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) | 0.77 | 2.71 | -34.1 | 4 | 5 | 1 | 80 | 244.274 | 5 | ↓ |
Ref Reference (pH 7) | 0.64 | 2.88 | -11.48 | 3 | 5 | 0 | 81 | 243.266 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.64 | 3.13 | -40.43 | 4 | 5 | 1 | 82 | 244.274 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.77 | 3.18 | -75.85 | 5 | 5 | 2 | 81 | 245.282 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 127 - 129 | Enamine Building Blocks |
MP | 127...129 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.