Molecule

ID:14755

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₄S
Molecular Mass
290.33426
Exact Mass
290.06127993
Charge
0
InChI
InChI=1S/C15H14O4S/c16-15(17)10-11-20(18,19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,16,17)
InChIKey
OUCMSPRRFDRFMR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCS(=O)(=O)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(S(=O)(=O)CCC(=O)O)ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.5900016
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.42296368
LogD (pH = 7.4)
-1.0185375
Log P
2.327965
Molar Refractivity
75.8988
Polarizability
31.440351
Polar Surface Area
71.44
Rotatable Bonds
5
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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