Molecule

ID:101885

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClNS₂
Molecular Mass
201.69636
Exact Mass
200.94736881
Charge
0
InChI
InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChIKey
NKYDKCVZNMNZCM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(s2)S
Isomeric Smiles
n1c(sc2c1cc(cc2)Cl)S
Calculated Properties
JChem
Acid pKa
6.835052
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4760828
LogD (pH = 7.4)
2.881435
Log P
3.4949737
Molar Refractivity
49.4166
Polarizability
20.559752
Polar Surface Area
12.89
Rotatable Bonds
0
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
References
Bioactivity
Navigation