Molecule

ID:87729

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BNO₄S
Molecular Mass
255.09846
Exact Mass
255.07365933
Charge
0
InChI
InChI=1S/C10H14BNO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6,13-14H,3-4,7-8H2
InChIKey
ONRDSHCJDLWHKN-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccccc1S(=O)(=O)N1CCCC1)O
Isomeric Smiles
B(c1c(cccc1)S(=O)(=O)N1CCCC1)(O)O
Calculated Properties
JChem
Acid pKa
8.022943
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0903063
LogD (pH = 7.4)
0.99918574
Log P
1.0916
Molar Refractivity
60.0958
Polarizability
25.487495
Polar Surface Area
77.84
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
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Molecule Details
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References
Bioactivity
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