In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2005 | 16 | No |
Popular Name: 5-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile 5-(chloromethyl)-3-methyl-1-phen…
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CAS Number: 698367-00-9
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) | 2.38 | 3.1 | -6.71 | 0 | 3 | 0 | 42 | 231.686 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 130 - 132 | Enamine Building Blocks |
MP | 130...132 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |