Molecule

ID:26883

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₄S
Molecular Mass
290.72334
Exact Mass
290.01280552
Charge
0
InChI
InChI=1S/C10H11ClN2O4S/c1-4-6(10(16)17-2)9(13-5(14)3-11)18-7(4)8(12)15/h3H2,1-2H3,(H2,12,15)(H,13,14)
InChIKey
KNIKCCUYRNUKPD-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N
Isomeric Smiles
c1(c(c(c(s1)C(=O)N)C)C(=O)OC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
9.770428
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8446939
LogD (pH = 7.4)
1.8429625
Log P
1.844716
Molar Refractivity
67.8689
Polarizability
25.044443
Polar Surface Area
98.49
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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