Molecule

ID:35005

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂O₅S
Molecular Mass
278.32532
Exact Mass
278.09364269
Charge
0
InChI
InChI=1S/C10H18N2O5S/c13-10(14)9-1-3-11(4-2-9)18(15,16)12-5-7-17-8-6-12/h9H,1-8H2,(H,13,14)
InChIKey
LGXOWZOKHYBFFZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)S(=O)(=O)N1CCOCC1
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)O)CC1)N1CCOCC1
Calculated Properties
JChem
Acid pKa
3.915231
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-2.8330076
LogD (pH = 7.4)
-4.447645
Log P
-1.2419895
Molar Refractivity
63.8848
Polarizability
25.921053
Polar Surface Area
87.15
Rotatable Bonds
1
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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