Molecule

ID:26888

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₃S
Molecular Mass
261.72518
Exact Mass
261.02264193
Charge
0
InChI
InChI=1S/C10H12ClNO3S/c1-3-6-4-7(10(14)15-2)9(16-6)12-8(13)5-11/h4H,3,5H2,1-2H3,(H,12,13)
InChIKey
HUZMUIMUPSPNFU-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1sc(cc1C(=O)OC)CC
Isomeric Smiles
c1(c(cc(s1)CC)C(=O)OC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.0364685
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4386322
LogD (pH = 7.4)
3.4376924
Log P
3.4386444
Molar Refractivity
63.5455
Polarizability
23.893896
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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