Molecule

ID:76934

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClO₃S
Molecular Mass
244.69466
Exact Mass
243.99609283
Charge
0
InChI
InChI=1S/C10H9ClO3S/c1-2-3-8-14-15(12,13)10-6-4-9(11)5-7-10/h1,4-7H,3,8H2
InChIKey
MXZMYISRJWSFBF-UHFFFAOYSA-N
Canonic Smiles
C#CCCOS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)OCCC#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6529021
LogD (pH = 7.4)
2.6529021
Log P
2.6529021
Molar Refractivity
58.3028
Polarizability
23.359694
Polar Surface Area
43.37
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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