Molecule

ID:86520

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClNS
Molecular Mass
147.62584
Exact Mass
146.99094788
Charge
0
InChI
InChI=1S/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
AQBBZYVPKBIILN-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cs1)CCl
Isomeric Smiles
n1c(scc1CCl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4228355
LogD (pH = 7.4)
1.4238049
Log P
1.4238173
Molar Refractivity
35.0518
Polarizability
13.589625
Polar Surface Area
12.89
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