Molecule

ID:52336

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNS
Molecular Mass
183.65794
Exact Mass
182.99094788
Charge
0
InChI
InChI=1S/C8H6ClNS/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
InChIKey
MLQPKPCDKLACIG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(C)cccc1Cl
Isomeric Smiles
c1(c(cccc1C)Cl)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1125364
LogD (pH = 7.4)
4.112537
Log P
4.112537
Molar Refractivity
52.9669
Polarizability
19.673145
Polar Surface Area
12.36
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