Molecule

ID:61713

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂S
Molecular Mass
175.24862
Exact Mass
175.06669966
Charge
0
InChI
InChI=1S/C7H13NO2S/c1-7(2,3)11(9)8-6-4-10-5-6/h4-5H2,1-3H3
InChIKey
VKUZMNXQGKBLHN-UHFFFAOYSA-N
Canonic Smiles
CC(S(=O)N=C1COC1)(C)C
Isomeric Smiles
CC(C)(S(=O)N=C1COC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1276883
LogD (pH = 7.4)
1.1276999
Log P
1.1277
Molar Refractivity
43.8472
Polarizability
17.956331
Polar Surface Area
38.66
Rotatable Bonds
1
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
References
Bioactivity
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