Molecule

ID:51212

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClNO₂S
Molecular Mass
265.8
Exact Mass
265.09032757
Charge
0
InChI
InChI=1S/C11H19NO2S.ClH/c1-2-14-10(13)9-5-3-4-6-11(9)12-7-8-15-11;/h9,12H,2-8H2,1H3;1H
InChIKey
QRBRXLYGCLXWSE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCCC21NCCS2.Cl
Isomeric Smiles
C12(C(C(=O)OCC)CCCC2)NCCS1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3904557
LogD (pH = 7.4)
1.3435413
Log P
2.0689728
Molar Refractivity
61.9011
Polarizability
24.89693
Polar Surface Area
38.33
Rotatable Bonds
3
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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