Molecule

ID:75109

General Information
Structure
MolImage
Molecular Formula
C₆H₇BO₂S
Molecular Mass
153.99458
Exact Mass
154.02598086
Charge
0
InChI
InChI=1S/C6H7BO2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,8-10H
InChIKey
OBCKMTLUSKYKIW-UHFFFAOYSA-N
Canonic Smiles
Sc1cccc(c1)B(O)O
Isomeric Smiles
B(c1cc(ccc1)S)(O)O
Calculated Properties
JChem
Acid pKa
5.701362
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
1.5217159
LogD (pH = 7.4)
0.38673213
Log P
1.7261
Molar Refractivity
38.6133
Polarizability
16.571228
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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