In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 29 | Yes |
Popular Name: 4-[(1-oxospiro[2H-benzo[f]chromene-3,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(1-oxospiro[2H-benzo[f]chrome…
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) | 4.40 | 13.46 | -60.39 | 1 | 4 | 1 | 55 | 383.471 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.40 | 11.23 | -12.53 | 0 | 4 | 0 | 53 | 382.463 | 2 | ↓ |