Molecule

ID:39621

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₄S
Molecular Mass
325.76738
Exact Mass
325.01755655
Charge
0
InChI
InChI=1S/C14H12ClNO4S/c15-11-8-4-5-9-12(11)21(19,20)16-13(14(17)18)10-6-2-1-3-7-10/h1-9,13,16H,(H,17,18)
InChIKey
HKCRZHFHHCWGQP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccccc1Cl
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)c1ccccc1)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
3.044431
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.39938954
LogD (pH = 7.4)
-0.65589195
Log P
2.82141
Molar Refractivity
78.3599
Polarizability
31.357994
Polar Surface Area
83.47
Rotatable Bonds
4
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