Molecule

ID:86650

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂OS₂
Molecular Mass
294.77978
Exact Mass
293.96883253
Charge
0
InChI
InChI=1S/C12H7ClN2OS2/c13-8-1-3-9(4-2-8)18-11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKey
LVNVTDKIAXLVOY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Sc2ccc(cc2)Cl)nc2n1ccs2
Isomeric Smiles
n1c2n(ccs2)c(c1Sc1ccc(cc1)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0081744
LogD (pH = 7.4)
4.0081997
Log P
4.0082
Molar Refractivity
87.7763
Polarizability
28.43528
Polar Surface Area
34.37
Rotatable Bonds
3
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