In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2009 | 21 | No |
Popular Name: 3-(4-Nitro-1-oxoisoindolin-2-yl)piperidine-2,6-dione 3-(4-Nitro-1-oxoisoindolin-2-yl)…
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CAS Numbers: 827026-45-9 , [827026-45-9]
(3S)-3-(4-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione
2,6-Piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-
2,6-piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-, (3S)-
3-(4-Nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
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) | -0.31 | 3.35 | -15.01 | 1 | 8 | 0 | 112 | 289.247 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0925294A1; US5635517; WO1998003502A1 | IBM Patent Data |
Warnings | IRRITANT | Matrix Scientific |