Molecule

ID:26328

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₃S
Molecular Mass
324.78262
Exact Mass
324.03354097
Charge
0
InChI
InChI=1S/C14H13ClN2O3S/c1-7-10(14(19)20-2)12(16)21-11(7)13(18)17-9-5-3-8(15)4-6-9/h3-6H,16H2,1-2H3,(H,17,18)
InChIKey
PXSAQGWLDPSZTD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(N)sc(c1C)C(=O)Nc1ccc(cc1)Cl
Isomeric Smiles
c1(c(sc(c1C)C(=O)Nc1ccc(Cl)cc1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.293007
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.0860243
LogD (pH = 7.4)
4.0859723
Log P
4.086025
Molar Refractivity
84.213
Polarizability
30.90389
Polar Surface Area
81.42
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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