Molecule

ID:114626

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₃S
Molecular Mass
287.76246
Exact Mass
287.03829199
Charge
0
InChI
InChI=1S/C12H14ClNO3S/c13-12(15)10-4-6-11(7-5-10)18(16,17)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKey
DTAXEYPEKABWAG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCCC1)c1ccc(C(=O)Cl)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0679073
LogD (pH = 7.4)
2.0679073
Log P
2.0679073
Molar Refractivity
71.266
Polarizability
27.898232
Polar Surface Area
54.45
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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