Molecule

ID:26979

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₂OS
Molecular Mass
214.67198
Exact Mass
213.99676153
Charge
0
InChI
InChI=1S/C8H7ClN2OS/c1-5-4-11-7(12)2-6(3-9)10-8(11)13-5/h2,4H,3H2,1H3
InChIKey
FNZCXIFIXPCDQH-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)n2c(n1)sc(c2)C
Isomeric Smiles
n12c(nc(cc1=O)CCl)sc(c2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6757461
LogD (pH = 7.4)
1.6757461
Log P
1.6757461
Molar Refractivity
55.9548
Polarizability
20.429987
Polar Surface Area
32.67
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