Molecule

ID:41042

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNOS
Molecular Mass
249.71602
Exact Mass
249.00151256
Charge
0
InChI
InChI=1S/C12H8ClNOS/c13-10-3-5-11(6-4-10)16-12-9(8-15)2-1-7-14-12/h1-8H
InChIKey
QFMSNZPFOLUHPE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1Sc1ccc(cc1)Cl
Isomeric Smiles
c1(c(C=O)cccn1)Sc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8552375
LogD (pH = 7.4)
3.8553262
Log P
3.8553274
Molar Refractivity
68.2875
Polarizability
25.83258
Polar Surface Area
29.96
Rotatable Bonds
3
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