| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 16 | Yes |
Popular Name: 1-(carbamoylmethyl)-1H-1,3-benzodiazole-5-carboxylic acid 1-(carbamoylmethyl)-1H-1,3-benzo…
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CAS Number: 1039976-04-9
| 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) | 0.12 | 2.58 | -69.44 | 2 | 6 | -1 | 101 | 218.192 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.12 | 3.03 | -73.64 | 3 | 6 | 0 | 102 | 219.2 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 298 - 300 | Enamine Building Blocks |
| MP | 298...300 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
