Molecule

ID:22487

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₅S
Molecular Mass
292.30708
Exact Mass
292.04054448
Charge
0
InChI
InChI=1S/C14H12O5S/c1-20(17,18)13-7-5-11(6-8-13)19-12-4-2-3-10(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
RGDRGEDGYDZTRP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)Oc1ccc(cc1)S(=O)(=O)C
Isomeric Smiles
C(=O)(c1cc(ccc1)Oc1ccc(cc1)S(=O)(=O)C)O
Calculated Properties
JChem
Acid pKa
3.823636
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.29205415
LogD (pH = 7.4)
-1.2799438
Log P
1.9714245
Molar Refractivity
73.5586
Polarizability
28.999521
Polar Surface Area
80.67
Rotatable Bonds
4
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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