Molecule

ID:32905

General Information
Structure
Molecular Formula
C₅H₅BO₃S
Molecular Mass
155.9674
Exact Mass
156.00524542
Charge
0
InChI
InChI=1S/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H
InChIKey
DEQOVKFWRPOPQP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)B(O)O
Isomeric Smiles
c1cc(sc1C=O)B(O)O
Calculated Properties
JChem
Acid pKa
7.814039
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.060309
LogD (pH = 7.4)
0.92131305
Log P
1.0624
Molar Refractivity
33.2373
Polarizability
14.195281
Polar Surface Area
57.53
Rotatable Bonds
2
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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