Molecule

ID:32911

General Information
Structure
MolImage
Molecular Formula
C₃H₇BO₂
Molecular Mass
85.89748
Exact Mass
86.05390986
Charge
0
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2
InChIKey
WLVKDFJTYKELLQ-UHFFFAOYSA-N
Canonic Smiles
OB(C1CC1)O
Isomeric Smiles
C1(CC1)B(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.568688
LogD (pH = 7.4)
0.5523766
Log P
0.5689
Molar Refractivity
17.8121
Polarizability
8.764483
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Acid pKa
8.808934
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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