Molecule

ID:88659

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BNO₄S₂
Molecular Mass
287.16346
Exact Mass
287.04573033
Charge
0
InChI
InChI=1S/C10H14BNO4S2/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4,13-14H,5-8H2
InChIKey
ROGGFXZKSGGVQE-UHFFFAOYSA-N
Canonic Smiles
OB(c1ccc(cc1)S(=O)(=O)N1CCSCC1)O
Isomeric Smiles
B(c1ccc(cc1)S(=O)(=O)N1CCSCC1)(O)O
Calculated Properties
JChem
Acid pKa
8.460789
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0062275
LogD (pH = 7.4)
0.9706818
Log P
1.0067
Molar Refractivity
67.9149
Polarizability
28.552269
Polar Surface Area
77.84
Rotatable Bonds
2
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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