Molecule

ID:19002

General Information
Structure
Molecular Formula
C₆H₁₁NO₄S
Molecular Mass
193.22084
Exact Mass
193.04087884
Charge
0
InChI
InChI=1S/C6H11NO4S/c1-12(10,11)7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
OGVCJOXRWBEJDW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(C(=O)O)CCC1)C
Calculated Properties
JChem
Acid pKa
3.2468176
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.2253604
LogD (pH = 7.4)
-4.4289937
Log P
-0.9921603
Molar Refractivity
41.2312
Polarizability
17.080664
Polar Surface Area
74.68
Rotatable Bonds
1
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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