Molecule

ID:94017

General Information
Structure
Molecular Formula
C₁₂H₆ClFN₂S
Molecular Mass
264.7058432
Exact Mass
263.9924251
Charge
0
InChI
InChI=1S/C12H6ClFN2S/c13-12-11-9(15-6-16-12)5-10(17-11)7-1-3-8(14)4-2-7/h1-6H
InChIKey
LSSSOQOZLIFXNV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc2c(s1)c(Cl)ncn2
Isomeric Smiles
n1c(c2c(nc1)cc(s2)c1ccc(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9224648
LogD (pH = 7.4)
3.9224658
Log P
3.9224658
Molar Refractivity
66.6932
Polarizability
27.27371
Polar Surface Area
25.78
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