Molecule

ID:55859

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO₄S
Molecular Mass
299.81468
Exact Mass
299.09580687
Charge
0
InChI
InChI=1S/C11H21NO4S.ClH/c1-12-6-4-11(5-7-12)9-10(3-8-15-11)16-17(2,13)14;/h10H,3-9H2,1-2H3;1H
InChIKey
OFKKRPHLKLFGCO-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2(CC1)OCCC(C2)OS(=O)(=O)C.Cl
Isomeric Smiles
C12(CC(CCO1)OS(=O)(=O)C)CCN(CC2)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-4.11186
LogD (pH = 7.4)
-3.0660598
Log P
-0.6706519
Molar Refractivity
64.83
Polarizability
26.67889
Polar Surface Area
55.84
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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