Molecule
ID:64543
General Information
Molecular Formula
C₁₀H₁₄B₁₀O₂
Molecular Mass
274.32696
Exact Mass
276.19243369
Charge
0
InChI
InChI=1S/C10H14B10O2/c1(7-5-21-7)3-9-10(4-2-8-6-22-8)11(9)13(9)14(9)12(9,10)16(10)15(10,11)17(11,13)19(13,14)18(12,14,16)20(15,16,17)19/h7-8H,1-6H2
InChIKey
RHHIOCMVHVXLQF-UHFFFAOYSA-N
Canonic Smiles
C1OC1CC[C]1234[B]567[B]891[B]1%102[C]2%114([B]435[B]357[B]768[B]691[B]1%102[B]%1143[B]5761)CCC1CO1
Isomeric Smiles
[B]1234[B]567[B]891[B]1%104[B]4%113[B]325[B]257[B]768[B]691[C]157([B]432[C]%10%1161CCC1OC1)CCC1OC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
64.4002
Polar Surface Area
25.06
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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