Molecule

ID:116609

General Information
Structure
Molecular Formula
C₁₁H₁₀ClNO₄S
Molecular Mass
287.7194
Exact Mass
287.00190649
Charge
0
InChI
InChI=1S/C11H10ClNO4S/c12-10(14)9-6-18(16,17)7-13(9)11(15)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
MWPYMDNMOWCLKQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CS(=O)(=O)CN1C(=O)c1ccccc1
Isomeric Smiles
N1(C(CS(=O)(=O)C1)C(=O)Cl)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.740334
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.111555286
LogD (pH = 7.4)
0.1115553
Log P
0.1115553
Molar Refractivity
65.4639
Polarizability
26.075838
Polar Surface Area
71.52
Rotatable Bonds
2
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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