Molecule

ID:114630

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₃S
Molecular Mass
259.7093
Exact Mass
259.00699187
Charge
0
InChI
InChI=1S/C10H10ClNO3S/c11-10(13)7-1-5-9(6-2-7)16(14,15)12-8-3-4-8/h1-2,5-6,8,12H,3-4H2
InChIKey
KDOSAEAUERWPIJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)S(=O)(=O)NC1CC1
Isomeric Smiles
S(=O)(=O)(NC1CC1)c1ccc(C(=O)Cl)cc1
Calculated Properties
JChem
Acid pKa
9.7431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4594078
LogD (pH = 7.4)
1.457688
Log P
1.4594297
Molar Refractivity
61.4385
Polarizability
24.247717
Polar Surface Area
63.24
Rotatable Bonds
3
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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