Molecule

ID:26889

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₃S
Molecular Mass
261.72518
Exact Mass
261.02264193
Charge
0
InChI
InChI=1S/C10H12ClNO3S/c1-3-15-10(14)7-4-6(2)16-9(7)12-8(13)5-11/h4H,3,5H2,1-2H3,(H,12,13)
InChIKey
LICKHIGCRDZQHR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(sc1NC(=O)CCl)C
Isomeric Smiles
c1(c(cc(s1)C)C(=O)OCC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.044071
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3508718
LogD (pH = 7.4)
3.3499482
Log P
3.3508837
Molar Refractivity
63.7701
Polarizability
23.893993
Polar Surface Area
55.4
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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