Molecule

ID:41627

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₆S
Molecular Mass
287.28902
Exact Mass
287.04635814
Charge
0
InChI
InChI=1S/C11H13NO6S/c1-18-9-4-2-8(3-5-9)12-10(13)6-19(16,17)7-11(14)15/h2-5H,6-7H2,1H3,(H,12,13)(H,14,15)
InChIKey
KFJPRKRTTBVZRR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)CS(=O)(=O)CC(=O)O
Isomeric Smiles
S(=O)(=O)(CC(=O)Nc1ccc(cc1)OC)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.1579034
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.472071
LogD (pH = 7.4)
-3.6154182
Log P
-0.1552392
Molar Refractivity
66.9447
Polarizability
26.283556
Polar Surface Area
109.77
Rotatable Bonds
6
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