In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2008 | 18 | No |
Popular Name: 1-(5-Nitropyridin-2-yl)-3-piperidinecarboxylicacid 1-(5-Nitropyridin-2-yl)-3-piperi…
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CAS Numbers: 937606-76-3 , [937606-76-3]
1-(5-Nitropyridin-2-yl)-3-piperidinecarboxylic
1-(5-Nitropyridin-2-yl)-3-piperidinecarboxylic 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) | 1.29 | 4.92 | -46.77 | 0 | 7 | -1 | 102 | 250.234 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |
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) | 1.18 | 7.28 | -40.76 | 0 | 7 | -1 | 102 | 250.234 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 5.31 | -8.64 | 1 | 7 | 0 | 99 | 251.242 | 4 | ↓ |
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) | 1.18 | 7.28 | -40.7 | 0 | 7 | -1 | 102 | 250.234 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 5.31 | -8.67 | 1 | 7 | 0 | 99 | 251.242 | 4 | ↓ |
Popular Name: (3S)-3-methyl-1-(5-nitro-2-pyridyl)piperidine-3-carboxylic (3S)-3-methyl-1-(5-nitro-2-pyrid…
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) | 1.53 | 8.26 | -49.43 | 0 | 7 | -1 | 102 | 264.261 | 3 | ↓ |
Popular Name: (3R)-3-methyl-1-(5-nitro-2-pyridyl)piperidine-3-carboxylic (3R)-3-methyl-1-(5-nitro-2-pyrid…
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) | 1.53 | 8.23 | -49.35 | 0 | 7 | -1 | 102 | 264.261 | 3 | ↓ |
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) | 1.29 | 5.45 | -51.98 | 0 | 7 | -1 | 102 | 250.234 | 3 | ↓ |