Molecule

ID:8035

General Information
Structure
Molecular Formula
C₇HCl₄NS
Molecular Mass
272.96654
Exact Mass
270.85838076
Charge
0
InChI
InChI=1S/C7HCl4NS/c8-3-1-4(9)6(11)7(5(3)10)12-2-13/h1H
InChIKey
DWJBOECIDDLGFI-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1c(Cl)c(Cl)cc(c1Cl)Cl
Isomeric Smiles
c1(cc(c(c(c1Cl)N=C=S)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4112496
LogD (pH = 7.4)
5.4112496
Log P
5.4112496
Molar Refractivity
62.3401
Polarizability
23.74597
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
false
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