Molecule

ID:62645

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃S
Molecular Mass
269.70412
Exact Mass
268.9913418
Charge
0
InChI
InChI=1S/C11H8ClNO3S/c1-6-9(10(14)15)13-11(17-6)16-8-5-3-2-4-7(8)12/h2-5H,1H3,(H,14,15)
InChIKey
MULYPOXYUIOYEM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1Oc1sc(c(n1)C(=O)O)C
Isomeric Smiles
c1(nc(sc1C)Oc1c(Cl)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9709134
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6208411
LogD (pH = 7.4)
0.6319626
Log P
4.1099143
Molar Refractivity
63.7258
Polarizability
24.581516
Polar Surface Area
59.42
Rotatable Bonds
3
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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