| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2006 | 21 | Yes |
Popular Name: 4-Oxo-3-(4-pyridylmethyl)-10-oxa-3-azatricyclo[5.2.1.0'1,5']dec-8-ene-6-carboxylic acid 4-Oxo-3-(4-pyridylmethyl)-10-oxa…
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CAS Number: 1164454-61-8
1-oxo-2-(pyridin-4-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
4-oxo-3-(4-pyridinylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
4-Oxo-3-pyridin-4-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) | -0.11 | 5.19 | -75.52 | 0 | 6 | -1 | 83 | 285.279 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | 5.47 | -74.5 | 1 | 6 | 0 | 84 | 286.287 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
