Molecule

ID:57804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄S
Molecular Mass
297.36996
Exact Mass
297.10347909
Charge
0
InChI
InChI=1S/C14H19NO4S/c1-10-4-3-5-11(2)15(10)20(18,19)13-8-6-12(7-9-13)14(16)17/h6-11H,3-5H2,1-2H3,(H,16,17)
InChIKey
NNQKRQFZYFUWFB-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(N1S(=O)(=O)c1ccc(cc1)C(=O)O)C
Isomeric Smiles
S(=O)(=O)(N1C(CCCC1C)C)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.5330682
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.40786657
LogD (pH = 7.4)
-0.99751586
Log P
2.3677278
Molar Refractivity
76.2451
Polarizability
30.132254
Polar Surface Area
74.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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