Molecule

ID:114629

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₄S
Molecular Mass
270.30486
Exact Mass
270.06742794
Charge
0
InChI
InChI=1S/C11H14N2O4S/c14-11(15)9-1-3-10(4-2-9)18(16,17)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChIKey
CQNOYCKJLKZRKY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.5338507
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.3065162
LogD (pH = 7.4)
-2.6718976
Log P
-2.3090172
Molar Refractivity
66.0209
Polarizability
26.174408
Polar Surface Area
86.71
Rotatable Bonds
2
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