In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2006 | 18 | No |
Popular Name: 1H-Indole-3-carboxaldehyde, 5-fluoro-2-(2-pyridinyl)- (9CI) 1H-Indole-3-carboxaldehyde, 5-fl…
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CAS Number: 588670-33-1
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) | 1.57 | 6.95 | -11.42 | 1 | 3 | 0 | 46 | 240.237 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.57 | 6.57 | -30.93 | 2 | 3 | 1 | 47 | 241.245 | 2 | ↓ |