Molecule

ID:71292

General Information
Structure
MolImage
Molecular Formula
C₄H₄BClO₂S
Molecular Mass
162.40236
Exact Mass
161.97135845
Charge
0
InChI
InChI=1S/C4H4BClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2,7-8H
InChIKey
JWVLMZZYJOJCTI-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccsc1Cl)O
Isomeric Smiles
c1(c(scc1)Cl)B(O)O
Calculated Properties
JChem
Acid pKa
8.136373
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.7507033
LogD (pH = 7.4)
1.6788707
Log P
1.7517
Molar Refractivity
31.674
Polarizability
14.247173
Polar Surface Area
40.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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