Molecule

ID:22089

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₅S
Molecular Mass
328.384
Exact Mass
328.10929275
Charge
0
InChI
InChI=1S/C14H20N2O5S/c1-4-22(19,20)12-5-6-13(14(7-12)16(17)18)15-8-10(2)21-11(3)9-15/h5-7,10-11H,4,8-9H2,1-3H3
InChIKey
WFEGFORBGYLUEE-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])N1CC(C)OC(C1)C
Isomeric Smiles
c1(c(ccc(c1)S(=O)(=O)CC)N1CC(OC(C1)C)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.9852291
LogD (pH = 7.4)
1.9852291
Log P
1.9852291
Molar Refractivity
84.3926
Polarizability
32.254025
Polar Surface Area
92.43
Rotatable Bonds
4
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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