Molecule

ID:77824

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂S
Molecular Mass
192.27914
Exact Mass
192.09324876
Charge
0
InChI
InChI=1S/C7H16N2O2S/c1-8-7-3-5-9(6-4-7)12(2,10)11/h7-8H,3-6H2,1-2H3
InChIKey
VCBIBMMEIOUYBB-UHFFFAOYSA-N
Canonic Smiles
CNC1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
N1(S(=O)(=O)C)CCC(CC1)NC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.676217
LogD (pH = 7.4)
-4.2331877
Log P
-1.4441392
Molar Refractivity
48.0167
Polarizability
19.764751
Polar Surface Area
49.41
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
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Molecule Details
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References
Bioactivity
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