Molecule
ID:116335
General Information
Molecular Formula
C₉H₁₀ClNO₃S₂
Molecular Mass
279.7636
Exact Mass
278.97906287
Charge
0
InChI
InChI=1S/C9H10ClNO3S2/c10-9(12)7-3-1-5-11(7)16(13,14)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2
InChIKey
RXDAUMNIYBMILU-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCCN1S(=O)(=O)c1cccs1
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)Cl)CCC1)c1sccc1
Calculated Properties
JChem
Acid pKa
18.549995
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6021334
LogD (pH = 7.4)
1.6021334
Log P
1.6021334
Molar Refractivity
61.5044
Polarizability
24.901033
Polar Surface Area
54.45
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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