| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 21 | Yes |
Popular Name: MFCD02127673 MFCD02127673
Find On: PubMed — Wikipedia — Google
CAS Number: 1164528-69-1
4-oxo-3-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
4-Oxo-3-pyridin-2-ylmethyl-10-oxa-3-aza-tricyclo-[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
| 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) | 0.01 | 4.09 | -65.38 | 0 | 6 | -1 | 83 | 285.279 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | 4.36 | -69.17 | 1 | 6 | 0 | 84 | 286.287 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
