In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 13 | Yes |
Popular Name: Quinoline, 1,2,3,4-tetrahydro-1-(1-methylethyl)- (9CI) Quinoline, 1,2,3,4-tetrahydro-1-…
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CAS Number: 21863-25-2
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) | 3.22 | 7.55 | -2.74 | 0 | 1 | 0 | 3 | 175.275 | 1 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0838453A1 | IBM Patent Data |