Molecule

ID:19268

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂O₂S
Molecular Mass
236.71902
Exact Mass
236.03862635
Charge
0
InChI
InChI=1S/C8H13ClN2O2S/c1-3-4-5-11-6-8(7(2)10-11)14(9,12)13/h6H,3-5H2,1-2H3
InChIKey
WVUBGXKRBPBSJF-UHFFFAOYSA-N
Canonic Smiles
CCCCn1nc(c(c1)S(=O)(=O)Cl)C
Isomeric Smiles
c1(S(=O)(=O)Cl)c(nn(c1)CCCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8026496
LogD (pH = 7.4)
1.8026778
Log P
1.8026781
Molar Refractivity
67.6207
Polarizability
22.319826
Polar Surface Area
51.96
Rotatable Bonds
4
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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