Molecule

ID:51373

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₂S
Molecular Mass
215.31248
Exact Mass
215.09799979
Charge
0
InChI
InChI=1S/C10H17NO2S/c1-7-2-4-10(5-3-7)11-8(6-14-10)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKey
OSGSVPRXIZFUFN-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2(CC1)SCC(N2)C(=O)O
Isomeric Smiles
N1C(C(=O)O)CSC21CCC(CC2)C
Calculated Properties
JChem
Acid pKa
3.2551796
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.49778318
LogD (pH = 7.4)
-0.6085844
Log P
-0.49998885
Molar Refractivity
56.7864
Polarizability
22.80988
Polar Surface Area
49.33
Rotatable Bonds
1
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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