Molecule

ID:117732

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N₃O₂S
Molecular Mass
221.32036
Exact Mass
221.11979786
Charge
0
InChI
InChI=1S/C8H19N3O2S/c1-2-14(12,13)11-7-5-10(4-3-9)6-8-11/h2-9H2,1H3
InChIKey
YFMQXMSYZYQDFV-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)S(=O)(=O)CC
Isomeric Smiles
S(=O)(=O)(N1CCN(CC1)CCN)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.51969
LogD (pH = 7.4)
-3.4682074
Log P
-1.5287645
Molar Refractivity
56.7326
Polarizability
23.12652
Polar Surface Area
66.64
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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