Molecule

ID:33796

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇FN₂O₂S
Molecular Mass
262.2595832
Exact Mass
262.02122669
Charge
0
InChI
InChI=1S/C12H7FN2O2S/c13-8-3-1-7(2-4-8)9-5-15-10(11(16)17)6-18-12(15)14-9/h1-6H,(H,16,17)
InChIKey
GCNWDWHBNVVHBE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1csc2n1cc(n2)c1ccc(cc1)F
Isomeric Smiles
n12c(nc(c2)c2ccc(cc2)F)scc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.5555327
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2993014
LogD (pH = 7.4)
-1.1479152
Log P
1.9752235
Molar Refractivity
75.6267
Polarizability
24.974428
Polar Surface Area
54.6
Rotatable Bonds
2
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