Molecule

ID:33928

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₄S₂
Molecular Mass
290.35916
Exact Mass
290.03949894
Charge
0
InChI
InChI=1S/C10H14N2O4S2/c1-16-10(13)9-8(2-7-17-9)18(14,15)12-5-3-11-4-6-12/h2,7,11H,3-6H2,1H3
InChIKey
OXJRZGREVONVSQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(c1c(C(=O)OC)scc1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2545855
LogD (pH = 7.4)
0.20846812
Log P
0.4070587
Molar Refractivity
67.6799
Polarizability
27.041613
Polar Surface Area
75.71
Rotatable Bonds
3
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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