Molecule

ID:68625

General Information
Structure
MolImage
Molecular Formula
C₅H₇BO₂S
Molecular Mass
141.98388
Exact Mass
142.02598086
Charge
0
InChI
InChI=1S/C5H7BO2S/c1-4-2-9-3-5(4)6(7)8/h2-3,7-8H,1H3
InChIKey
LVPFZXKLROORIK-UHFFFAOYSA-N
Canonic Smiles
OB(c1cscc1C)O
Isomeric Smiles
c1c(c(cs1)C)B(O)O
Calculated Properties
JChem
Acid pKa
8.393983
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.775849
LogD (pH = 7.4)
1.7346711
Log P
1.7764
Molar Refractivity
32.7505
Polarizability
13.983435
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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