In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 13 | Yes |
Popular Name: 2-chloro-5-(1H-1,2,4-triazol-1-ylmethyl)pyridine 2-chloro-5-(1H-1,2,4-triazol-1-y…
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CAS Number: 861211-53-2
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) | 0.84 | 6.22 | -11.26 | 0 | 4 | 0 | 44 | 194.625 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 61 - 63 | Enamine Building Blocks |
MP | 61...63 | Enamine Building Blocks |
melting_point | 63 - 65 | KeyOrganics |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.