Molecule

ID:51002

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂S
Molecular Mass
251.77342
Exact Mass
251.0746775
Charge
0
InChI
InChI=1S/C10H17NO2S.ClH/c1-2-13-9(12)8-7-14-10(11-8)5-3-4-6-10;/h8,11H,2-7H2,1H3;1H
InChIKey
HJQBXQVPWALXRD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CSC2(N1)CCCC2.Cl
Isomeric Smiles
N1C(C(=O)OCC)CSC21CCCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5271908
LogD (pH = 7.4)
1.7041945
Log P
1.7069904
Molar Refractivity
57.1545
Polarizability
23.05888
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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