Molecule

ID:86278

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₂S
Molecular Mass
218.66068
Exact Mass
217.99167615
Charge
0
InChI
InChI=1S/C7H7ClN2O2S/c8-4-6(9)10-12-7(11)5-2-1-3-13-5/h1-3H,4H2,(H2,9,10)
InChIKey
XLWVOJGURWJYRE-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1cccs1)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)c1cccs1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6834859
LogD (pH = 7.4)
1.6836486
Log P
1.6836507
Molar Refractivity
49.8748
Polarizability
19.130682
Polar Surface Area
64.68
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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