Molecule

ID:9954

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂S
Molecular Mass
269.40292
Exact Mass
269.14494998
Charge
0
InChI
InChI=1S/C14H23NO2S/c1-3-5-12-15(13-6-4-2)18(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YKXINVWHNNYQMA-UHFFFAOYSA-N
Canonic Smiles
CCCCN(S(=O)(=O)c1ccccc1)CCCC
Isomeric Smiles
S(=O)(=O)(N(CCCC)CCCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6744268
LogD (pH = 7.4)
3.6744268
Log P
3.6744268
Molar Refractivity
75.7565
Polarizability
30.328783
Polar Surface Area
37.38
Rotatable Bonds
7
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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