Molecule

ID:65342

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄S
Molecular Mass
247.31128
Exact Mass
247.08782903
Charge
0
InChI
InChI=1S/C10H17NO4S/c1-9(2,3)15-8(12)11-4-10(5-11)6-16(13,14)7-10/h4-7H2,1-3H3
InChIKey
SZUIVGVHSGBMMY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CS(=O)(=O)C2)OC(C)(C)C
Isomeric Smiles
C1C2(CS1(=O)=O)CN(C2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.57055694
LogD (pH = 7.4)
-0.57055694
Log P
-0.57055694
Molar Refractivity
58.738
Polarizability
23.876513
Polar Surface Area
63.68
Rotatable Bonds
2
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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