In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 14 | Yes |
Popular Name: N-methyl-N-[(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]amine N-methyl-N-[(2-phenyl-2H-1,2,3-t…
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CAS Numbers: 1042787-37-0 , 1334149-25-5
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) | 0.93 | 4.17 | -43.11 | 2 | 4 | 1 | 47 | 189.242 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 2.68 | -7.02 | 1 | 4 | 0 | 43 | 188.234 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |