Molecule

ID:12478

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄S
Molecular Mass
249.32716
Exact Mass
249.10347909
Charge
0
InChI
InChI=1S/C10H19NO4S/c1-2-3-4-9(10(12)13)11-8-5-6-16(14,15)7-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKey
ICGVLMZRVUOAQK-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)O)NC1CCS(=O)(=O)C1
Isomeric Smiles
C1C(CS(=O)(=O)C1)NC(CCCC)C(=O)O
Calculated Properties
JChem
Acid pKa
1.5446942
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.4251118
LogD (pH = 7.4)
-2.4336576
Log P
-2.4251223
Molar Refractivity
59.5489
Polarizability
24.713001
Polar Surface Area
83.47
Rotatable Bonds
6
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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