Molecule

ID:73910

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClNS
Molecular Mass
201.71628
Exact Mass
201.03789807
Charge
0
InChI
InChI=1S/C9H12ClNS/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6H,11H2,1-2H3
InChIKey
HJYRCWDQTVQNJV-UHFFFAOYSA-N
Canonic Smiles
CC(Sc1c(N)cccc1Cl)C
Isomeric Smiles
Nc1c(c(ccc1)Cl)SC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.941312
LogD (pH = 7.4)
2.942395
Log P
2.9424088
Molar Refractivity
57.5879
Polarizability
21.913465
Polar Surface Area
26.02
Rotatable Bonds
2
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