Molecule

ID:7993

General Information
Structure
Molecular Formula
C₈H₆ClNS
Molecular Mass
183.65794
Exact Mass
182.99094788
Charge
0
InChI
InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey
DEHXIHUIYSXZNH-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1ccc(cc1)Cl
Isomeric Smiles
C(=S)=NCc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3981678
LogD (pH = 7.4)
3.3981678
Log P
3.3981678
Molar Refractivity
50.7465
Polarizability
19.742897
Polar Surface Area
12.36
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