Molecule

ID:113443

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀KNO₄S
Molecular Mass
231.3112
Exact Mass
230.99676049
Charge
0
InChI
InChI=1S/C6H11NO4S.K/c8-6(9)3-7-5-1-2-12(10,11)4-5;/h5,7H,1-4H2,(H,8,9);/q;+1/p-1
InChIKey
UQPXSOVQRSEZJK-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)CNC1CCS(=O)(=O)C1.[K+]
Isomeric Smiles
S1(=O)(=O)CC(NCC(=O)[O-])CC1.[K+]
Calculated Properties
JChem
Acid pKa
1.1423442
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-4.4057984
LogD (pH = 7.4)
-4.4225144
Log P
-4.4056835
Molar Refractivity
52.1661
Polarizability
17.317621
Polar Surface Area
86.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation