Molecule

ID:65340

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₂S
Molecular Mass
215.31248
Exact Mass
215.09799979
Charge
0
InChI
InChI=1S/C10H17NO2S/c1-9(2,3)13-8(12)11-4-10(5-11)6-14-7-10/h4-7H2,1-3H3
InChIKey
LTBYDCPCBXIEFT-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CSC2)OC(C)(C)C
Isomeric Smiles
C1C2(CS1)CN(C2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4420599
LogD (pH = 7.4)
1.4420599
Log P
1.4420599
Molar Refractivity
57.3611
Polarizability
22.669922
Polar Surface Area
29.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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