Molecule

ID:28616

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₄S
Molecular Mass
275.7087
Exact Mass
275.00190649
Charge
0
InChI
InChI=1S/C10H10ClNO4S/c1-7(13)12-4-5-16-10-3-2-8(6-9(10)12)17(11,14)15/h2-3,6H,4-5H2,1H3
InChIKey
ABMZXQIJEDEIAB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCOc2c1cc(cc2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc2N(C(=O)C)CCOc2cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6921291
LogD (pH = 7.4)
0.6921291
Log P
0.6921291
Molar Refractivity
62.7253
Polarizability
25.017841
Polar Surface Area
63.68
Rotatable Bonds
1
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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