Molecule

ID:122770

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₅S
Molecular Mass
303.7188
Exact Mass
302.99682111
Charge
0
InChI
InChI=1S/C11H10ClNO5S/c1-18-8-3-2-7(6-9(8)19(12,16)17)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
InChIKey
ATEIQCVFFMSZPO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1S(=O)(=O)Cl)N1C(=O)CCC1=O
Isomeric Smiles
S(=O)(=O)(c1cc(N2C(=O)CCC2=O)ccc1OC)Cl
Calculated Properties
JChem
Acid pKa
17.174889
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.6767947
LogD (pH = 7.4)
0.6767947
Log P
0.6767947
Molar Refractivity
67.6131
Polarizability
26.989958
Polar Surface Area
80.75
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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