Molecule

ID:121536

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀NNaO₄S
Molecular Mass
263.24547
Exact Mass
263.02282309
Charge
0
InChI
InChI=1S/C10H11NO4S.Na/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)16(13,14)15;/h2-5,10H,6H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKey
LKAZCMFZYBOAGI-UHFFFAOYSA-M
Canonic Smiles
CC(=O)N1c2ccccc2CC1S(=O)(=O)[O-].[Na+]
Isomeric Smiles
N1(C(S(=O)(=O)[O-])Cc2c1cccc2)C(=O)C.[Na+]
Calculated Properties
JChem
Acid pKa
-1.1663789
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.0685143
LogD (pH = 7.4)
-2.0685363
Log P
0.3078623
Molar Refractivity
56.1001
Polarizability
22.754509
Polar Surface Area
77.51
Rotatable Bonds
1
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