Molecule

ID:41662

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₄S
Molecular Mass
270.0899
Exact Mass
268.93163401
Charge
0
InChI
InChI=1S/C7H5Cl2NO4S/c8-4-1-5(9)7(10-2-4)15(13,14)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKey
KVNKMVWBPSKPEO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CS(=O)(=O)c1ncc(cc1Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1ncc(cc1Cl)Cl)CC(=O)O
Calculated Properties
JChem
Acid pKa
2.4033763
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6275531
LogD (pH = 7.4)
-2.1819267
Log P
1.3329798
Molar Refractivity
53.6634
Polarizability
21.944866
Polar Surface Area
84.33
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