Molecule

ID:116479

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₃S
Molecular Mass
207.29048
Exact Mass
207.09291441
Charge
0
InChI
InChI=1S/C8H17NO3S/c1-8(2,3)9-5-7(6-9)12-13(4,10)11/h7H,5-6H2,1-4H3
InChIKey
RGNVMDVHVBFRPL-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)OC1CN(C1)C(C)(C)C
Isomeric Smiles
S(=O)(=O)(OC1CN(C1)C(C)(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.3725666
LogD (pH = 7.4)
0.3537619
Log P
0.37843344
Molar Refractivity
50.5397
Polarizability
21.170586
Polar Surface Area
46.61
Rotatable Bonds
3
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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