Molecule

ID:36529

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₂S
Molecular Mass
227.66744
Exact Mass
226.98077712
Charge
0
InChI
InChI=1S/C9H6ClNO2S/c10-5-8-7(9(12)13-11-8)4-6-2-1-3-14-6/h1-4H,5H2/b7-4+
InChIKey
VGLLAGLVHKOFFO-QPJJXVBHSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1cccs1
Isomeric Smiles
C\1(=C\c2sccc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1122303
LogD (pH = 7.4)
3.1122317
Log P
3.1122317
Molar Refractivity
54.6579
Polarizability
20.715645
Polar Surface Area
38.66
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