Molecule

ID:43809

General Information
Structure
Molecular Formula
C₃Cl₂N₂O₂S
Molecular Mass
199.0153
Exact Mass
197.90575361
Charge
0
InChI
InChI=1S/C3Cl2N2O2S/c4-1-2(7(8)9)10-3(5)6-1
InChIKey
UNWUPQUTAGSGOA-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(c(s1)[N+](=O)[O-])Cl
Isomeric Smiles
n1c(sc(c1Cl)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.476255
LogD (pH = 7.4)
2.476255
Log P
2.476255
Molar Refractivity
38.643
Polarizability
14.453666
Polar Surface Area
58.71
Rotatable Bonds
1
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