Molecule

ID:26871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₃S
Molecular Mass
275.75176
Exact Mass
275.03829199
Charge
0
InChI
InChI=1S/C11H14ClNO3S/c1-4-7-6(2)17-10(13-8(14)5-12)9(7)11(15)16-3/h4-5H2,1-3H3,(H,13,14)
InChIKey
FXKSBBGLAJEBAR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1sc(c(c1C(=O)OC)CC)C
Isomeric Smiles
c1(c(c(c(s1)C)CC)C(=O)OC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.043698
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.952054
LogD (pH = 7.4)
3.9511294
Log P
3.9520657
Molar Refractivity
68.6637
Polarizability
25.634039
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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