3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid

Chemical Structure Depiction of
3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Available: 10 mg
Amount:
mg
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Compound characteristics

Compound ID: 8014-9041
Compound Name: 3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Molecular Weight: 345.31
Molecular Formula: C13 H19 N3 O8
Smiles: C(CN1CC2(CC=C(C(C2)(C1)[N+]([O-])=O)OCCO)[N+]([O-])=O)C(O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: -0.974
logD: -3.8329
logSw: -0.4777
Hydrogen bond acceptors count: 14
Hydrogen bond donors count: 2
Polar surface area: 121.701
InChI Key: JTAPXUXKTORBBV-UHFFFAOYSA-N
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