Molecule

ID:117295

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₅S
Molecular Mass
267.25786
Exact Mass
267.02014339
Charge
0
InChI
InChI=1S/C11H9NO5S/c13-10(14)6-3-7-12-11(15)8-4-1-2-5-9(8)18(12,16)17/h1-6H,7H2,(H,13,14)/b6-3+
InChIKey
ZUTPNDGBTIEHCS-ZZXKWVIFSA-N
Canonic Smiles
OC(=O)/C=C/CN1C(=O)c2c(S1(=O)=O)cccc2
Isomeric Smiles
S1(=O)(=O)N(C(=O)c2c1cccc2)C/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
3.2718718
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.3796365
LogD (pH = 7.4)
-2.60203
Log P
0.8298778
Molar Refractivity
63.7693
Polarizability
24.361607
Polar Surface Area
91.75
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