Molecule

ID:10789

General Information
Structure
MolImage
Molecular Formula
C₃H₉BO₂
Molecular Mass
87.91336
Exact Mass
88.06955993
Charge
0
InChI
InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3
InChIKey
JAQOMSTTXPGKTN-UHFFFAOYSA-N
Canonic Smiles
CCCB(O)O
Isomeric Smiles
CCCB(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.77440494
LogD (pH = 7.4)
0.75937337
Log P
0.7746
Molar Refractivity
20.1105
Polarizability
9.482963
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Acid pKa
8.845089
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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