Molecule

ID:86547

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNOS
Molecular Mass
263.7426
Exact Mass
263.01716263
Charge
0
InChI
InChI=1S/C13H10ClNOS/c1-9-2-5-11(6-3-9)17-13(16)10-4-7-12(14)15-8-10/h2-8H,1H3
InChIKey
MHHZZQMMRUGRQE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)SC(=O)c1ccc(nc1)Cl
Isomeric Smiles
S(c1ccc(cc1)C)C(=O)c1cnc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.229206
LogD (pH = 7.4)
4.2292066
Log P
4.2292066
Molar Refractivity
73.0546
Polarizability
27.674456
Polar Surface Area
29.96
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