Molecule

ID:44716

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂S
Molecular Mass
223.29142
Exact Mass
223.06669966
Charge
0
InChI
InChI=1S/C11H13NO2S/c1-14-11(13)9-4-2-8(3-5-9)10-12-6-7-15-10/h2-5,10,12H,6-7H2,1H3
InChIKey
UAWWTAKFPLAVCK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C1NCCS1
Isomeric Smiles
C1(NCCS1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.061917026
LogD (pH = 7.4)
1.6245928
Log P
2.093755
Molar Refractivity
61.4668
Polarizability
24.13105
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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