Molecule

ID:14511

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₃S
Molecular Mass
284.3745
Exact Mass
284.11946351
Charge
0
InChI
InChI=1S/C13H20N2O3S/c1-10-5-7-15(8-6-10)19(16,17)13-4-3-11(14)9-12(13)18-2/h3-4,9-10H,5-8,14H2,1-2H3
InChIKey
FYBBJTGVNUYVJR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1S(=O)(=O)N1CCC(CC1)C
Isomeric Smiles
c1(S(=O)(=O)N2CCC(CC2)C)c(cc(cc1)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1772505
LogD (pH = 7.4)
1.1774147
Log P
1.1774167
Molar Refractivity
75.8635
Polarizability
29.60421
Polar Surface Area
72.63
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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