Molecule

ID:74773

General Information
Structure
MolImage
Molecular Formula
C₅H₅BO₃S
Molecular Mass
155.9674
Exact Mass
156.00524542
Charge
0
InChI
InChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H
InChIKey
HYXMHAHVUFTVFZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccsc1B(O)O
Isomeric Smiles
O=Cc1c(B(O)O)scc1
Calculated Properties
JChem
Acid pKa
7.552904
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.90539265
LogD (pH = 7.4)
0.6782342
Log P
0.9092
Molar Refractivity
33.4532
Polarizability
14.19205
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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