| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2013 | 18 | No |
Popular Name: 1-(2-Methyl-5-nitrophenyl)guanidine nitrate 1-(2-Methyl-5-nitrophenyl)guanid…
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CAS Number: 152460-08-7
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| 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) | 2.06 | 8.48 | -32.82 | 2 | 10 | -1 | 153 | 254.182 | 5 | ↓ |
| Ref Reference (pH 7) | 2.19 | 8.66 | -9.08 | 3 | 10 | 0 | 149 | 255.19 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 9.05 | -16.74 | 3 | 10 | 0 | 151 | 255.19 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.