Molecule

ID:10819

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₄S
Molecular Mass
207.24742
Exact Mass
207.0565289
Charge
0
InChI
InChI=1S/C7H13NO4S/c9-7(10)1-3-8-6-2-4-13(11,12)5-6/h6,8H,1-5H2,(H,9,10)
InChIKey
IKVXZBQFTASZSZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(CC1)NCCC(=O)O
Calculated Properties
JChem
Acid pKa
2.9993207
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.169871
LogD (pH = 7.4)
-4.184696
Log P
-4.169543
Molar Refractivity
46.0284
Polarizability
19.248074
Polar Surface Area
83.47
Rotatable Bonds
4
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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