Molecule
ID:14696
General Information
Molecular Formula
C₆H₄ClN₃S
Molecular Mass
185.63406
Exact Mass
184.98144582
Charge
0
InChI
InChI=1S/C6H4ClN3S/c7-5-3(8)1-2-4-6(5)10-11-9-4/h1-2H,8H2
InChIKey
RAFNDUBDHJMEDU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1Cl)nsn2
Isomeric Smiles
c12c(ccc(c1Cl)N)nsn2
Calculated Properties
JChem
Acid pKa
19.151701
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8919768
LogD (pH = 7.4)
1.8919934
Log P
1.8919936
Molar Refractivity
46.0456
Polarizability
17.853132
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...