Chem Phenyl Boronic Acid 2spl | Cheminformatics
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2D Structure

Phenyl boronic acid


  • SKU Code: CH138485
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Chemical Name - Phenyl boronic acid
Mol Weight - 121.931
Smiles - OB(c1ccccc1)O
Property Name Property Value
Mol NamePhenyl boronic acid
Molweight121.931
Monoisotopic Mass122.05391
Clogp1.383
Clogs1.105
H Acceptors2
H Donors2
Total Surface Area100.56
Relative Psa0.26054
Polar Surface Area40.46
Druglikeness-13.339
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.35005
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms3
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms3
SmilesOB(c1ccccc1)O
InChIKeyInChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIHXITXNWTGFUOAU-UHFFFAOYSA-N

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