Molecule

ID:39615

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₄S
Molecular Mass
325.76738
Exact Mass
325.01755655
Charge
0
InChI
InChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)
InChIKey
RCGHLRLGTZRRKK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(NC(C(=O)O)c1ccccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.0352972
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3910789
LogD (pH = 7.4)
-0.6511972
Log P
2.82141
Molar Refractivity
78.3599
Polarizability
31.336292
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