Molecule

ID:59931

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂NO₂S
Molecular Mass
288.14978
Exact Mass
286.95745483
Charge
0
InChI
InChI=1S/C11H7Cl2NO2S/c12-7-2-1-3-8(13)10(7)11-14-6(5-17-11)4-9(15)16/h1-3,5H,4H2,(H,15,16)
InChIKey
VOHNVMFAUGANIH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)c1c(Cl)cccc1Cl
Isomeric Smiles
c1(nc(CC(=O)O)cs1)c1c(Cl)cccc1Cl
Calculated Properties
JChem
Acid pKa
4.0707946
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4422607
LogD (pH = 7.4)
0.7685959
Log P
3.8884969
Molar Refractivity
76.9132
Polarizability
26.454535
Polar Surface Area
50.19
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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