Molecule

ID:10366

General Information
Structure
Molecular Formula
C₁₁H₁₅ClO₂S
Molecular Mass
246.7536
Exact Mass
246.0481284
Charge
0
InChI
InChI=1S/C11H15ClO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3
InChIKey
XDWXZRVWJHEWMT-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)Cl)CCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.211245
LogD (pH = 7.4)
4.211245
Log P
4.211245
Molar Refractivity
63.6974
Polarizability
25.483889
Polar Surface Area
34.14
Rotatable Bonds
5
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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