Molecule

ID:77571

General Information
Structure
Molecular Formula
C₁₆H₃₃ClO₂S
Molecular Mass
324.95002
Exact Mass
324.18897898
Charge
0
InChI
InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
InChIKey
YOSVFFVBSPQTTP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCS(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(CCCCCCCCCCCCCCCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.615935
LogD (pH = 7.4)
6.615935
Log P
6.615935
Molar Refractivity
89.3126
Polarizability
36.251717
Polar Surface Area
34.14
Rotatable Bonds
15
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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