Molecule

ID:114628

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₄S
Molecular Mass
284.33144
Exact Mass
284.083078
Charge
0
InChI
InChI=1S/C12H16N2O4S/c1-18-12(15)10-2-4-11(5-3-10)19(16,17)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey
FQJMCGFRMREGCH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1674674
LogD (pH = 7.4)
0.29558656
Log P
0.4941773
Molar Refractivity
70.79
Polarizability
28.2439
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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