Molecule

ID:117734

General Information
Structure
MolImage
Molecular Formula
C₈H₂₀N₄O₂S
Molecular Mass
236.335
Exact Mass
236.1306969
Charge
0
InChI
InChI=1S/C8H20N4O2S/c1-10(2)15(13,14)12-7-5-11(4-3-9)6-8-12/h3-9H2,1-2H3
InChIKey
FZCAHTIUYPZIPW-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(N1CCN(CC1)CCN)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-5.034163
LogD (pH = 7.4)
-3.9858134
Log P
-2.046464
Molar Refractivity
60.4283
Polarizability
24.655998
Polar Surface Area
69.88
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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