Molecule

ID:44681

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₃O₃S
Molecular Mass
317.61654
Exact Mass
315.94944825
Charge
0
InChI
InChI=1S/C10H11Cl3O3S/c1-2-3-4-17(14,15)16-10-8(12)5-7(11)6-9(10)13/h5-6H,2-4H2,1H3
InChIKey
NYRTYBNKNVRXED-UHFFFAOYSA-N
Canonic Smiles
CCCCS(=O)(=O)Oc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
S(=O)(=O)(Oc1c(cc(cc1Cl)Cl)Cl)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.363768
LogD (pH = 7.4)
4.363768
Log P
4.363768
Molar Refractivity
69.2032
Polarizability
28.391972
Polar Surface Area
43.37
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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